SCHEMBL8604

SCHEMBL8604

COc1ccc(CO[C]=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LDHA P00338 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
STAT3 P40763 1/20 0.47
POLB P06746 1/20 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 2/20 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
KMT2A Q03164 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
SCHEMBL2091675 0.84 ALDH1A1 (0.49) CA2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8394 0.79 PTGS2 (0.53) CA2CYP19A1CYP3A4ABCB1MAPT
SCHEMBL633797 0.79 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4GAA
SCHEMBL291363 0.78 CA2 (0.68) CA2ATMKDM4EALDH1A1LDHA
SCHEMBL318036 0.78 CA2 (0.68) CA2ATMKDM4EALDH1A1LDHA
SCHEMBL29475007 0.78 CA2 (0.68) CA2ATMKDM4EALDH1A1LDHA
SCHEMBL911100 0.77 CA2 (0.61) CA2ATMKDM4EALDH1A1LDHA
SCHEMBL4336643 0.76 CA2 (0.59) CA2ATMKDM4EALDH1A1LDHA
SCHEMBL11008456 0.75 CA2 (0.63) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL6341 0.75 IDO1 (0.55) CA2POLB

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 4540 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
EP-3291792-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'Oréal (FR) 2018-03-14 EP claimed
CN-107530259-A Method using acid amides, acid or ester C glycosides derivatives processing keratin material and the cosmetic composition containing them 莱雅公司 2018-01-02 CN claimed
WO-2016177908-A2 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2016-11-10 WO 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
EP-2928473-A1 REGIOSELECTIVE N-2 ARYLATION OF INDAZOLES Merck Sharp & Dohme Corp. (US) 2015-10-14 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