SCHEMBL9030239

SCHEMBL9030239

Cn1ccnc1C1=Cc2ccc(OCCCC(C)(C)C(=O)O)cc2OC1CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.39
PPARG P37231 1/20 0.39
LTB4R Q15722 2/20 0.35
ALOX5 P09917 1/20 0.34
CYP4F2 P78329 5/20 0.34
CYP4A11 Q02928 5/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL9030891 0.94 PPARA (0.40) PPARAPPARGLTB4RALOX5CYP4F2
SCHEMBL9029722 0.93 PPARG (0.34) PPARAPPARGALOX5NFKB1NFKB2
SCHEMBL9029953 0.89 PPARG (0.32) PPARGALOX5NFKB1NFKB2RELA
SCHEMBL9029933 0.88 ALOX5 (0.36) PPARAPPARGALOX5
SCHEMBL9029711 0.88 PPARG (0.36) PPARAPPARGCYP4F2CYP4A11S1PR1
SCHEMBL9675661 0.87 NFKB1 (0.33) PPARGALOX5NFKB1NFKB2RELA
SCHEMBL9030826 0.87 ALOX5 (0.35) PPARAPPARGALOX5S1PR1S1PR3
SCHEMBL9030642 0.87 NAAA (0.30)
SCHEMBL9029432 0.87 ALOX5 (0.35) PPARAPPARGALOX5
SCHEMBL9030263 0.86 PPARA (0.41) PPARAPPARGLTB4RALOX5CYP4F2

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
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed