SCHEMBL9524838

SCHEMBL9524838

CCOC(=O)C=Cc1cn(CC(=O)N(C)CCc2ccc(OC)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.78
LTB4R2 Q9NPC1 18/20 0.78
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL9022627 0.96 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023229 0.96 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022634 0.96 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023182 0.95 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9023178 0.95 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9524451 0.92 LTB4R (0.92) LTB4RLTB4R2
SCHEMBL9023713 0.90 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL9141658 0.90 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL9022862 0.90 LTB4R (0.73) LTB4RLTB4R2
SCHEMBL9023315 0.90 LTB4R (0.73) LTB4RLTB4R2

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