SCHEMBL9284151

SCHEMBL9284151

[O]c1ccc(C#Cc2ccc(C(=O)O)cc2)nc1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.47
FFAR4 Q5NUL3 3/20 0.44
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
CHRM2 P08172 1/20 0.39
S1PR1 P21453 1/20 0.39
FPR1 P21462 1/20 0.39
FPR3 P25089 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
ACACB O00763 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
SCHEMBL8825480 0.81 LTB4R (0.46) FFAR1FFAR4
SCHEMBL69572 0.69 RARB (0.69) RARBRARGACACB
SCHEMBL29789030 0.69 RARB (0.69) RARBRARGACACB
SCHEMBL9176562 0.68 FFAR1 (0.51) FFAR1FFAR4
Hydrochloric Acid SCHEMBL5666955 0.67 RARB (0.67) RARBRARGACACB
SCHEMBL7494237 0.66 RARB (0.45) FFAR1RARBRARG
Hydrochloric Acid SCHEMBL7415587 0.65 NPC1 (0.44) FFAR1RARBRARG
SCHEMBL20026754 0.65 RARB (0.55) RARBRARGACACB
SCHEMBL20764505 0.64 RARB (0.58) RARBRARGACACB
SCHEMBL1549563 0.64 FFAR1 (1.00) FFAR1FFAR4CHRM2S1PR1FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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