SCHEMBL8303813

SCHEMBL8303813

CCC(C)OC(=O)CC(C#N)(CC(=O)O)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 6/20 0.39
KIF11 P52732 1/20 0.36
HPGD P15428 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ABCB1 P08183 4/20 0.35
CYP3A5 P20815 1/20 0.35
ABCC1 P33527 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 2/20 0.35
ABCB11 O95342 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL8642739 0.91 L3MBTL1 (0.40) L3MBTL1CASP1HSD17B10CYP2C19MEN1
SCHEMBL6997552 0.85 SMN1; SMN2 (0.36) L3MBTL1KIF11MAPTSMN1; SMN2ALDH1A1
SCHEMBL6992759 0.85 MAPT (0.35) L3MBTL1HSD17B10KIF11LMNAMAPT
SCHEMBL11816282 0.84 LMNA (0.37) LMNACYP1A2FNTAFNTB
SCHEMBL6999252 0.83 CYP2C19 (0.33) L3MBTL1CYP2C19MAPTSLC6A4
SCHEMBL6997990 0.83 DHODH (0.36) L3MBTL1GAASMN1; SMN2
SCHEMBL11816749 0.83 L3MBTL1 (0.32) L3MBTL1KIF11MAPTALDH1A1
SCHEMBL6998078 0.83 CYP2C19 (0.39) CASP1HSD17B10CYP3A4HPGDCYP2C19
SCHEMBL7958122 0.83 MAPT (0.36) L3MBTL1CASP1HSD17B10CYP3A4KIF11
SCHEMBL6996442 0.82 MIF (0.41) L3MBTL1MEN1KMT2ATSHRMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed
US-3958003-A HETEROCYCLIC COMPOUND, ANALGESICS CENTRAL NERVOUS SYSTEM DEPRESSANT SANDOZ LTD. (CH) 1976-05-18 US disclosed