SCHEMBL8987301

SCHEMBL8987301

COc1cccc(-c2cc(-c3ccccc3)cc(=O)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL8800017 0.94 GAA (0.55) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8987485 0.88 ALDH1A1 (0.51) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8987032 0.86 KDM4E (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8986985 0.86 KDM4E (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9521681 0.80 ALKBH3 (0.44) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6756097 0.80 TAS2R38 (0.60) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8986959 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2CCNB2
SCHEMBL8987318 0.76 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28102064 0.76 CYP1A2 (0.72) SMN1; SMN2
SCHEMBL29740761 0.76 CYP1A1 (0.64) SMN1; SMN2

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed