SCHEMBL8071744

SCHEMBL8071744

CCOC(=O)C([C]=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
TSHR P16473 2/20 0.53
PIN1 Q13526 1/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27920341 0.86 SMN1; SMN2 (0.60) MMP8TSHRPIN1GAAMEN1
SCHEMBL502194 0.84 SMN1; SMN2 (0.61) MMP8TSHRPIN1GAAMEN1
SCHEMBL7270510 0.81 KMT2A (0.60) TSHRMEN1KMT2ALMNAL3MBTL1
SCHEMBL2310025 0.81 LMNA (0.62) MMP8TSHRPIN1MEN1KMT2A
SCHEMBL9021701 0.81 ALDH1A1 (0.50) KMT2ASMN1; SMN2LMNACYP1A2TDP1
SCHEMBL28674585 0.79 MMP8 (0.72) MMP8TSHRPIN1GAAMEN1
SCHEMBL11092251 0.78 CYP1A2 (0.37) TSHRGAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL6596397 0.78 CYP1A2 (0.50) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL28929530 0.78 MMP8 (0.56) MMP8TSHRPIN1GAAMEN1
SCHEMBL28929528 0.78 MMP8 (0.56) MMP8TSHRPIN1GAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563128-B1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM PHARMA (DE) 1999-03-24 EP claimed
US-5686462-A FUSED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1997-11-11 US claimed
US-5665729-A CARBOCYCLIC OR HETEROCYCLIC FUSED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1997-09-09 US claimed
EP-0781556-A1 Use of condensed dihydropyridines for the treatement of chronic inflammatory processes BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP claimed
EP-0563128-A1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1993-10-06 EP claimed
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 EP claimed
WO-1992011010-A1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1992-07-09 WO claimed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP claimed
US-6034094-A BRAIN DISORDERS; ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 2000-03-07 US disclosed
EP-0563128-B1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM PHARMA (DE) 1999-03-24 EP disclosed
US-5686462-A FUSED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1997-11-11 US disclosed
US-5665729-A CARBOCYCLIC OR HETEROCYCLIC FUSED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1997-09-09 US disclosed
EP-0781556-A1 Use of condensed dihydropyridines for the treatement of chronic inflammatory processes BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
EP-0781556-A1 Use of condensed dihydropyridines for the treatement of chronic inflammatory processes BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP disclosed
US-4558123-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1985-12-10 US disclosed
US-4515719-A Azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0132395-A1 Improvements in or relating to the preparation of azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed
EP-0132394-A1 Improvements in or relating to the preparation of 3-exomethylene cephalosporins ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed
US-4175185-A ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION MEIJI SEIKA KAISHA LTD. (JP) 1979-11-20 US disclosed