SCHEMBL10420114

SCHEMBL10420114

COc1ccccc1CCCCCCC(Oc1ccc(C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARG P37231 9/20 0.48
NPC1 O15118 1/20 0.45
CTRC Q99895 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9696328 1.00 PPARA (0.48) PPARAPPARGNPC1CTRCPOLB
SCHEMBL9695308 0.89 PPARA (0.48) PPARAPPARGCTRCPOLB
SCHEMBL9695301 0.88 PPARA (0.45) PPARAPPARGCTRCPOLB
SCHEMBL10420795 0.84 PPARA (0.51) PPARAPPARG
SCHEMBL10419468 0.83 PPARG (0.67) PPARAPPARGCTRC
SCHEMBL10420385 0.81 PPARA (0.60) PPARAPPARGCTRC
SCHEMBL10420063 0.78 PPARG (0.53) PPARAPPARG
SCHEMBL10419530 0.78 PPARG (0.53) PPARAPPARG
SCHEMBL10419347 0.78 PPARG (0.67) PPARAPPARGNPC1CTRC
SCHEMBL9614177 0.78 PPARG (0.61) PPARAPPARGCTRC

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
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed