SCHEMBL9525686

SCHEMBL9525686

COC(=O)Cc1cn(CC(N)=O)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.59
LTB4R2 Q9NPC1 4/20 0.59
PLA2G2A P14555 7/20 0.59
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
ICMT O60725 3/20 0.49
CNR2 P34972 1/20 0.47
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL8178172 0.79 PLA2G2A (0.70) PLA2G2APPARGPPARDPPARAICMT
SCHEMBL8298657 0.78 PPARD (0.65) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL8299582 0.78 PLA2G2A (0.78) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL6021902 0.78 PPARG (0.50) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL27386831 0.77 LTB4R (0.64) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL27384853 0.76 PLA2G2A (0.63) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL9023728 0.76 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL23886848 0.75 PLA2G4A (0.46) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL30176331 0.75 PLA2G4A (0.46) LTB4RLTB4R2PLA2G2APPARGPPARD
SCHEMBL13930968 0.75 PPARD (0.68) LTB4RLTB4R2PLA2G2APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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