SCHEMBL9469070

SCHEMBL9469070

CCCCCCCCC(O)C=CC=Cc1ccccc1OCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.61
PPARA Q07869 5/20 0.55
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FPR2 P25090 2/20 0.41
GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL9469067 1.00 PPARG (0.61) PPARGPPARANFKB1NFKB2RELA
SCHEMBL9469066 1.00 PPARG (0.61) PPARGPPARANFKB1NFKB2RELA
SCHEMBL9469160 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9470015 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9470020 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9469963 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9469664 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9469966 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9469161 0.90 PPARG (0.49) PPARGPPARA
SCHEMBL9469666 0.90 PPARG (0.49) PPARGPPARA

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-0416069-B1 NEW LEUCOTRIENE B 4 DERIVATIVES, A METHOD OF PREPARING THEM, AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-28 EP claimed
US-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed