SCHEMBL2317022

SCHEMBL2317022

COc1cccc(CC(=O)NC(CC(=O)O)Cc2ccc3ccccc3c2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.51
MMEL1 Q495T6 3/20 0.51
TACR1 P25103 1/20 0.49
PIN1 Q13526 3/20 0.47
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CASP1 P29466 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CTSD P07339 1/20 0.44
HIF1A Q16665 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
SCHEMBL2317015 1.00 MME (0.51) MMEMMEL1TACR1PIN1CTSG
SCHEMBL2319282 0.87 MME (0.48) MMEMMEL1CTSGCMA1ITGB1
SCHEMBL2319273 0.87 MME (0.48) MMEMMEL1CTSGCMA1ITGB1
SCHEMBL2314751 0.87 MME (0.53) MMEMMEL1CTSGCMA1ITGB1
SCHEMBL2314748 0.87 MME (0.53) MMEMMEL1CTSGCMA1ITGB1
SCHEMBL2320785 0.83 PIN1 (0.54) MMEMMEL1PIN1CTSGCMA1
SCHEMBL2320793 0.83 PIN1 (0.54) MMEMMEL1PIN1CTSGCMA1
SCHEMBL2319566 0.83 MME (0.50) MMEMMEL1PIN1CTSGCMA1
SCHEMBL2319559 0.83 MME (0.50) MMEMMEL1PIN1CTSGCMA1
SCHEMBL2313448 0.82 MME (0.50) MMEMMEL1CTSGCMA1ITGB1

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