SCHEMBL2318924

SCHEMBL2318924

COc1ccccc1CC(=O)N[C@H](CC(=O)O)Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.58
MMEL1 Q495T6 4/20 0.58
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.50
FFAR2 O15552 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2318931 1.00 MME (0.58) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2316139 0.86 ITGB1 (0.50) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2316145 0.86 ITGB1 (0.50) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2316474 0.85 LMNA (0.55) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2316457 0.85 LMNA (0.55) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2313603 0.85 MME (0.58) MMEMMEL1FFAR2
SCHEMBL2313611 0.85 MME (0.58) MMEMMEL1FFAR2
SCHEMBL2317678 0.85 MME (0.60) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2317684 0.85 MME (0.60) MMEMMEL1ITGB1ITGA4MEN1
SCHEMBL2318219 0.83 MME (0.50) MMEMMEL1MEN1KMT2AGAA

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