SCHEMBL8825426

SCHEMBL8825426

COc1ccc(/C=C/CCCCOc2ccc(CCCCCO)nc2CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.58
LTB4R2 Q9NPC1 3/20 0.58
DRD3 P35462 1/20 0.53
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8825429 1.00 LTB4R (0.58) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825303 0.94 LTB4R (0.67) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825307 0.94 LTB4R (0.67) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825346 0.92 LTB4R (0.49) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825349 0.92 LTB4R (0.49) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825656 0.86 LTB4R (0.57) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825650 0.86 LTB4R (0.57) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825251 0.85 LTB4R (0.53) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825256 0.85 LTB4R (0.53) LTB4RLTB4R2DRD3FFAR1PPARG
SCHEMBL8825095 0.85 LTB4R (0.60) LTB4RLTB4R2DRD3

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
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP disclosed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO disclosed