SCHEMBL8987170

SCHEMBL8987170

COc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(=O)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAP2K1 Q02750 1/20 0.54
KDM4E B2RXH2 9/20 0.51
MAPT P10636 6/20 0.51
THRB P10828 3/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GCGR P47871 1/20 0.51
MAPK14 Q16539 1/20 0.51
HPGD P15428 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL8987371 1.00 ALDH1A1 (0.57) ALDH1A1MAP2K1KDM4EMAPTTHRB
SCHEMBL8986959 0.92 ALDH1A1 (0.66) ALDH1A1MAP2K1KDM4EMAPTTHRB
SCHEMBL8987241 0.87 KDM4E (0.55) ALDH1A1KDM4EMAPTTHRBHPGD
SCHEMBL8987032 0.86 KDM4E (0.59) ALDH1A1MAP2K1KDM4EMAPTTHRB
SCHEMBL8986985 0.86 KDM4E (0.59) ALDH1A1MAP2K1KDM4EMAPTTHRB
SCHEMBL28132423 0.85 ALDH1A1 (0.57) ALDH1A1MAP2K1KDM4EMAPTTHRB
SCHEMBL8987106 0.81 CYP1A2 (0.52) ALDH1A1KDM4EMAPTTHRBGCGR
SCHEMBL8987311 0.81 CYP1A2 (0.52) ALDH1A1KDM4EMAPTTHRBGCGR
SCHEMBL3947663 0.76 HPGD (0.59) HPGDRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL13567347 0.75 ALDH1A1 (0.52) ALDH1A1MAP2K1KDM4EMAPTTHRB

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