SCHEMBL13460940

SCHEMBL13460940

CCCOc1ccc(-c2cccc(C=O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.46
PPARA Q07869 4/20 0.46
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.44
PPARG P37231 3/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 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
SCHEMBL13461052 0.93 PPARG (0.47) PPARDPPARATP53L3MBTL1POLB
SCHEMBL13460849 0.92 PPARD (0.47) PPARDPPARATP53MAPTPPARG
SCHEMBL13460797 0.91 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL13461056 0.89 PPARD (0.45) PPARDPPARATP53PPARG
SCHEMBL13460821 0.89 PPARG (0.46) PPARDPPARAL3MBTL1POLBTHRB
SCHEMBL13460972 0.89 PPARD (0.44) PPARDPPARATP53L3MBTL1POLB
SCHEMBL13460883 0.89 PPARD (0.44) PPARDPPARATP53MAPTPPARG
SCHEMBL13461086 0.88 PPARD (0.44) PPARDPPARATP53L3MBTL1POLB
SCHEMBL13460941 0.88 PPARG (0.53) PPARDPPARAPPARG
SCHEMBL13460876 0.87 PPARD (0.45) PPARDPPARATP53MAPTPPARG

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