SCHEMBL8980583

SCHEMBL8980583

CCc1ccc(O)c(C(=O)NCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CDK1 P06493 1/20 0.52
NAAA Q02083 2/20 0.51
TRPA1 O75762 1/20 0.46
APP P05067 2/20 0.44
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
SYK P43405 1/20 0.42
ESRRG P62508 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41

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
SCHEMBL18646379 0.89 NAAA (0.56) KDM4EALDH1A1CDK1NAAATRPA1
SCHEMBL18646048 0.86 NAAA (0.65) KDM4EALDH1A1CDK1NAAAALOX5
SCHEMBL18645568 0.85 NAAA (0.72) KDM4ECDK1NAAAALOX5PTGS2
SCHEMBL8980647 0.81 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL1179368 0.80 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
Gentisic Acid Ethanolamide SCHEMBL29379843 0.80 NAAA (0.65) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL12722670 0.80 POLB (0.57) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980561 0.78 KDM4E (0.58) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980687 0.78 CDK1 (0.82) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL8980880 0.78 KDM4E (0.69) KDM4EALDH1A1MAPTCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed