SCHEMBL2319282

SCHEMBL2319282

COc1cccc(CC(=O)NC(CC(=O)O)Cc2cccc(C)c2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.48
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
MMEL1 Q495T6 3/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
OPRK1 P41145 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTSD P07339 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
SCHEMBL2319273 1.00 MME (0.48) MMECTSGCMA1MMEL1KDM4E
SCHEMBL2314748 0.90 MME (0.53) MMECTSGCMA1MMEL1KDM4E
SCHEMBL2314751 0.90 MME (0.53) MMECTSGCMA1MMEL1KDM4E
SCHEMBL2317022 0.87 MME (0.51) MMECTSGCMA1MMEL1KMT2A
SCHEMBL2317015 0.87 MME (0.51) MMECTSGCMA1MMEL1KMT2A
SCHEMBL2320793 0.86 PIN1 (0.54) MMECTSGCMA1MMEL1KDM4E
SCHEMBL2320785 0.86 PIN1 (0.54) MMECTSGCMA1MMEL1KDM4E
SCHEMBL2319559 0.82 MME (0.50) MMECTSGCMA1MMEL1KMT2A
SCHEMBL2319566 0.82 MME (0.50) MMECTSGCMA1MMEL1KMT2A
SCHEMBL2313448 0.81 MME (0.50) MMECTSGCMA1MMEL1KMT2A

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