SCHEMBL2316145

SCHEMBL2316145

COc1ccccc1CC(=O)NC(CC(=O)O)Cc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
MME P08473 3/20 0.49
MMEL1 Q495T6 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
PSMB5 P28074 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL2316139 1.00 ITGB1 (0.50) ITGB1ITGA4MMEMMEL1MEN1
SCHEMBL2318219 0.87 MME (0.50) MMEMMEL1MEN1KMT2AGAA
SCHEMBL2318230 0.87 MME (0.50) MMEMMEL1MEN1KMT2AGAA
SCHEMBL2318924 0.86 MME (0.58) ITGB1ITGA4MMEMMEL1MEN1
SCHEMBL2318931 0.86 MME (0.58) ITGB1ITGA4MMEMMEL1MEN1
SCHEMBL2315959 0.81 TAAR1 (0.62) MMEMMEL1MEN1KMT2AGAA
SCHEMBL2315968 0.81 TAAR1 (0.62) MMEMMEL1MEN1KMT2AGAA
SCHEMBL2316457 0.78 LMNA (0.55) ITGB1ITGA4MMEMMEL1MEN1
SCHEMBL2316474 0.78 LMNA (0.55) ITGB1ITGA4MMEMMEL1MEN1
SCHEMBL2317678 0.77 MME (0.60) ITGB1ITGA4MMEMMEL1MEN1

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