SCHEMBL8605

SCHEMBL8605

COc1ccc(COC=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
ALDH1A1 P00352 3/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
ATM Q13315 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TUBB1 Q9H4B7 1/20 0.49
LDHA P00338 1/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ABCB1 P08183 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL17304946 0.86 SMN1; SMN2 (0.44) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL12765969 0.84 MAPT (0.48) ALDH1A1KDM4ETSHRMEN1GAA
SCHEMBL15344884 0.84 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4GAAHPGD
SCHEMBL2091678 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ETUBB1CYP1A2CYP3A4
SCHEMBL17616775 0.81 ALDH1A1 (0.62) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL20327305 0.80 ATM (0.53) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL8395 0.79 PTGS2 (0.53) KDM4ETUBB1CYP19A1CYP3A4ABCB1
SCHEMBL633798 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL23187814 0.79 PTGS1 (0.43) ALDH1A1LDHACYP3A4MEN1GAA
SCHEMBL23458348 0.79 CA2 (0.48) CA2ALDH1A1PPARGPPARDPPARA

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

Appears in 3996 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
CN-106103463-B Bridging type nucleosides and nucleotide 国立大学法人大阪大学 2018-11-30 CN claimed
EP-3109254-B1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE UNIV OSAKA (JP) 2018-04-11 EP claimed
CN-105152992-A Cyclopiane tetracyclic diterpene analogue, method for synthesizing same and application of cyclopiane tetracyclic diterpene analogue UNIV LANZHOU 2015-12-16 CN claimed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 US claimed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US claimed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US claimed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP claimed
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US claimed
US-5120746-A Inhibit gastric acid secretion TOYAMA CHEMICAL CO., LTD. (JP) 1992-06-09 US claimed
US-4643849-A ANTIULCER, ANTISECRETORY AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1987-02-17 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4246405-A Method for preparation of β-lactam compound FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-01-20 US claimed
EP-0016136-A1 INHIBITION BY PEPTIDES OF TOLERANCE TO AND DEPENDENCE ON MORPHINE University of Illinois Foundation (US) 1980-10-01 EP claimed
WO-1980000216-A1 INHIBITION BY PEPTIDES OF TOLERANCE TO AND DEPENDENCE ON MORPHINE UNIV ILLINOIS (US) 1980-02-21 WO claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed