SCHEMBL2313155

SCHEMBL2313155

O=C(O)C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.62
MMEL1 Q495T6 8/20 0.54
MME P08473 4/20 0.54
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL2313157 1.00 FFAR2 (0.62) FFAR2MMEL1MMELMNAHPGD
SCHEMBL2312968 0.89 MME (0.60) FFAR2MMEL1MMEL3MBTL1ERCC1
SCHEMBL2312962 0.89 MME (0.60) FFAR2MMEL1MMEL3MBTL1ERCC1
SCHEMBL2313273 0.88 FFAR2 (0.77) FFAR2MMEL1MMEHPGDALDH1A1
SCHEMBL2313265 0.88 FFAR2 (0.77) FFAR2MMEL1MMEHPGDALDH1A1
SCHEMBL2315245 0.84 FFAR2 (0.79) FFAR2MMEL1MME
SCHEMBL2315341 0.84 FFAR2 (0.79) FFAR2MMEL1MME
SCHEMBL2315240 0.84 FFAR2 (0.79) FFAR2MMEL1MME
SCHEMBL2315954 0.84 FFAR2 (0.60) FFAR2MMEL1MME
SCHEMBL2315961 0.84 FFAR2 (0.60) FFAR2MMEL1MME

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed