SCHEMBL2315696

SCHEMBL2315696

COc1ccc(CC(=O)NC(CC(=O)O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.63
MME P08473 5/20 0.60
MMEL1 Q495T6 3/20 0.56
KMT2A Q03164 5/20 0.56
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
UTS2R Q9UKP6 1/20 0.54
FFAR2 O15552 1/20 0.54
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FPR2 P25090 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL2315686 1.00 CNR2 (0.63) CNR2MMEMMEL1KMT2AEGFR
SCHEMBL2314965 0.91 MME (0.71) CNR2MMEMMEL1KMT2AFFAR2
SCHEMBL2314959 0.91 MME (0.71) CNR2MMEMMEL1KMT2AFFAR2
SCHEMBL2313239 0.87 MME (0.63) CNR2MMEMMEL1KMT2AEGFR
SCHEMBL2317689 0.87 MME (0.63) CNR2MMEMMEL1KMT2AEGFR
SCHEMBL2313244 0.87 MME (0.63) CNR2MMEMMEL1KMT2AEGFR
SCHEMBL2317683 0.87 MME (0.63) CNR2MMEMMEL1KMT2AEGFR
SCHEMBL2313693 0.87 MME (0.66) CNR2MMEMMEL1KMT2AFFAR2
SCHEMBL2313700 0.87 MME (0.66) CNR2MMEMMEL1KMT2AFFAR2
SCHEMBL2314065 0.87 MME (0.66) CNR2MMEMMEL1KMT2AFFAR2

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