SCHEMBL13460883

SCHEMBL13460883

CCCOc1ccc(C(=O)NCc2cc(-c3cccc(C=O)c3)ccc2OCC)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.44
PPARA Q07869 6/20 0.44
PPARG P37231 4/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL13460849 0.96 PPARD (0.47) PPARDPPARAPPARGTP53MAPT
SCHEMBL13460876 0.93 PPARD (0.45) PPARDPPARAPPARGTP53MAPT
SCHEMBL13461061 0.91 TP53 (0.43) PPARDPPARAPPARGTP53NPC1
SCHEMBL13460848 0.91 PPARD (0.41) PPARDPPARAPPARGTP53MAPT
SCHEMBL13461056 0.90 PPARD (0.45) PPARDPPARAPPARGTP53ADRB1
SCHEMBL13460753 0.90 PPARD (0.41) PPARDPPARAPPARGTP53NPC1
SCHEMBL13460751 0.90 TP53 (0.42) PPARDPPARAPPARGTP53NPC1
SCHEMBL13460940 0.89 PPARD (0.46) PPARDPPARAPPARGTP53NPC1
SCHEMBL13461052 0.88 PPARG (0.47) PPARDPPARAPPARGTP53NPC1
SCHEMBL13460801 0.88 TP53 (0.41) PPARDPPARAPPARGTP53NPC1

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