SCHEMBL13460969

SCHEMBL13460969

CCOc1ccc(-c2ccc(C)c(C=O)c2)cc1CNC(=O)c1ccc(OC(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.41
PPARA Q07869 5/20 0.41
ERN1 O75460 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
GPR35 Q9HC97 1/20 0.37
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNB1 Q14721 1/20 0.35

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
SCHEMBL13460774 0.90 PPARD (0.45) PPARDPPARAERN1TP53NPC1
SCHEMBL13460770 0.88 HDAC1 (0.45) PPARDPPARAERN1TP53MAPT
SCHEMBL3414175 0.88 PPARD (0.54) PPARDPPARATP53LMNAMAPT
SCHEMBL13460753 0.86 PPARD (0.41) PPARDPPARATP53LMNAMAPT
SCHEMBL13460775 0.84 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL13461039 0.83 ERN1 (0.45) PPARDPPARAERN1LMNAMAPT
SCHEMBL13461040 0.82 ERN1 (0.42) PPARDPPARAERN1MAPTHTT
SCHEMBL3414385 0.82 PPARD (0.55) PPARDPPARATP53LMNANPC1
SCHEMBL13460858 0.81 PPARD (0.51) PPARDPPARATP53CYP1A2RECQL
SCHEMBL3416948 0.81 PPARD (0.59) PPARDPPARAPPARG

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