SCHEMBL7830798

SCHEMBL7830798

[CH]=CC(=O)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
MAPT P10636 7/20 0.55
HPGD P15428 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
BCHE P06276 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 1/20 0.55
GUSB P08236 1/20 0.55
ALDH1A1 P00352 4/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
HMGB1 P09429 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 1/20 0.52

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
SCHEMBL1839194 0.79 KDM4E (0.57) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL9974096 0.77 KDM4E (0.55) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL9315349 0.77 MAPT (0.55) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL18379309 0.76 MAPT (0.63) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL7829063 0.76 CES2 (0.58) HPGDCYP2C19ALDH1A1TSHRTP53
SCHEMBL6769385 0.76 MAPT (0.63) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL7831635 0.76 GPR52 (0.49) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL23728355 0.74 CES2 (0.59) KDM4EMAPTHPGDSMN1; SMN2CYP3A4
SCHEMBL28714567 0.74 MAPT (0.61) KDM4EMAPTHPGDSMN1; SMN2BCHE
SCHEMBL15938647 0.74 MAPT (0.61) KDM4EMAPTHPGDSMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed