SCHEMBL2314751

SCHEMBL2314751

COc1cccc(CC(=O)NC(CC(=O)O)Cc2ccc(C)cc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.53
MMEL1 Q495T6 3/20 0.53
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PTPRB P23467 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
CTSD P07339 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2314748 1.00 MME (0.53) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2319273 0.90 MME (0.48) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2319282 0.90 MME (0.48) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2319566 0.88 MME (0.50) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2319559 0.88 MME (0.50) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2313448 0.87 MME (0.50) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2313433 0.87 MME (0.50) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2317015 0.87 MME (0.51) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2317022 0.87 MME (0.51) MMEMMEL1ITGB1ITGA4CTSG
SCHEMBL2320793 0.82 PIN1 (0.54) MMEMMEL1ITGB1ITGA4CTSG

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