SCHEMBL9030263

SCHEMBL9030263

Cn1ccnc1C1=Cc2cc(OCCCC(C)(C)C(=O)O)ccc2OC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.41
PPARG P37231 1/20 0.38
ALOX5 P09917 2/20 0.35
CYP4F2 P78329 5/20 0.35
CYP4A11 Q02928 5/20 0.35
LTB4R Q15722 3/20 0.34

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
SCHEMBL9029704 0.93 PPARA (0.34) PPARAPPARGALOX5
SCHEMBL9030891 0.92 PPARA (0.40) PPARAPPARGALOX5CYP4F2CYP4A11
SCHEMBL9031371 0.88 ALOX5 (0.38) PPARAPPARGALOX5CYP4F2CYP4A11
SCHEMBL9030239 0.86 PPARA (0.39) PPARAPPARGALOX5CYP4F2CYP4A11
SCHEMBL9769521 0.86 CYP4F2 (0.42) PPARAPPARGALOX5CYP4F2CYP4A11
SCHEMBL9029933 0.85 ALOX5 (0.36) PPARAPPARGALOX5
SCHEMBL9029711 0.85 PPARG (0.36) PPARAPPARGCYP4F2CYP4A11
SCHEMBL9030826 0.85 ALOX5 (0.35) PPARAPPARGALOX5
SCHEMBL9029432 0.84 ALOX5 (0.35) PPARAPPARGALOX5
SCHEMBL9031163 0.82 PPARG (0.37) PPARAPPARGCYP4F2CYP4A11

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
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed