SCHEMBL7826271

SCHEMBL7826271

[O]CC(=O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HPGD P15428 6/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HMGB1 P09429 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MAPT P10636 4/20 0.54
TSHR P16473 4/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP19A1 P11511 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 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
SCHEMBL2012462 0.84 KDM4E (0.54) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL105808 0.83 KDM4E (0.58) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL598345 0.83 MEN1 (0.69) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL31211720 0.83 CYP19A1 (0.66) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL1701142 0.79 PTPN1 (0.57) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL12302413 0.79 KDM4E (0.54) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL4014026 0.79 KDM4E (0.58) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL19809218 0.79 KDM4E (0.54) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL7819309 0.79 HPGD (0.55) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL6129338 0.79 KDM4E (0.54) KDM4EHPGDALDH1A1SMN1; SMN2CA12

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