SCHEMBL8825147

SCHEMBL8825147

CCCCCCCCCCOc1ccc(C(O)C(O)c2ccc(C(=O)OC)cc2)nc1CCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
PPARA Q07869 7/20 0.45
LTB4R Q15722 1/20 0.45
SMPD1 P17405 5/20 0.41
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8825152 1.00 PPARG (0.45) PPARGPPARALTB4RSMPD1THRA
SCHEMBL8825445 0.83 LTB4R (0.60) LTB4R
SCHEMBL8825437 0.83 LTB4R (0.60) LTB4R
SCHEMBL8825418 0.78 PPARG (0.41) PPARGPPARALTB4RSMPD1THRA
SCHEMBL8825101 0.73 MAPT (0.39) PPARGPPARALTB4R
SCHEMBL24950547 0.67 SMPD1 (0.67) SMPD1THRATHRB
SCHEMBL9565566 0.67 SMPD1 (0.67) SMPD1THRATHRB
SCHEMBL967401 0.67 SMPD1 (0.67) SMPD1THRATHRB
SCHEMBL9304902 0.67 SMPD1 (0.67) SMPD1THRATHRB
SCHEMBL9445376 0.66 PLA2G2D (0.50) LTB4RSMPD1THRA

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 1 patent. 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