SCHEMBL9022901

SCHEMBL9022901

Cc1ccc(COc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.53
MAOA P21397 8/20 0.53
LTA4H P09960 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 1/20 0.44
ACHE P22303 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL9525385 0.94 ALOX5 (0.53) MAOBMAOANPC1RAB9APPARG
SCHEMBL30376216 0.91 MAOB (0.47) MAOBMAOALTA4HNPC1RAB9A
SCHEMBL9023367 0.88 MEN1 (0.54) MAOBMAOANPC1RAB9AACHE
SCHEMBL19234842 0.85 MAOB (0.56) MAOBMAOALTA4HACHE
SCHEMBL25422318 0.85 AHR (0.54) MAOBMAOALTA4HACHE
SCHEMBL14543024 0.85 NR4A2 (0.54) MAOBMAOALTA4HHDAC1
SCHEMBL30488431 0.85 AHR (0.54) MAOBMAOALTA4HACHE
SCHEMBL329575 0.84 ALOX5 (0.62) MAOBMAOALTA4HNPC1RAB9A
SCHEMBL18392871 0.82 CYP17A1 (0.55) MAOALTA4HHDAC1PPARG
SCHEMBL30375840 0.81 MAOB (0.52) MAOBMAOAPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed