SCHEMBL13460972

SCHEMBL13460972

CCCOc1ccc(-c2cc(F)cc(C=O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.44
PPARA Q07869 7/20 0.44
ATM Q13315 1/20 0.42
PPARG P37231 4/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 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
SCHEMBL13460904 0.93 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL13460779 0.93 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL13460924 0.89 ROCK2 (0.45) ATMPOLBTHRBRECQLTDP1
SCHEMBL13460783 0.89 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL13460940 0.89 PPARD (0.46) PPARDPPARAATMPPARGPOLB
SCHEMBL13460785 0.88 ROCK2 (0.42) PPARDPPARAPPARG
SCHEMBL3416369 0.87 PPARD (0.53) PPARDPPARAPPARGTP53
SCHEMBL13460812 0.87 PPARD (0.48) PPARDPPARAATMPPARGPOLB
SCHEMBL13460794 0.86 PPARD (0.46) PPARDPPARAATMPPARGPOLB
SCHEMBL13461086 0.84 PPARD (0.44) PPARDPPARAPPARGPOLBTHRB

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed