SCHEMBL2364591

SCHEMBL2364591

CCC(NC(C)=O)(C(=O)O)c1cccc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37

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
SCHEMBL2364635 0.88 KMT2A (0.49) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL2365010 0.77 L3MBTL1 (0.50) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL2364807 0.75 ALDH1A1 (0.37) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL2364868 0.74 KMT2A (0.38) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL2364652 0.73 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29023278 0.71 KMT2A (0.39) KMT2AMEN1GAAALDH1A1CA12
SCHEMBL9829583 0.70 CXCR2 (0.42) KMT2AALDH1A1HIF1A
SCHEMBL9829581 0.70 CXCR2 (0.42) KMT2AALDH1A1HIF1A
SCHEMBL20153912 0.69 SMN1; SMN2 (0.46) NFE2L2KMT2AMEN1GAACA12
SCHEMBL27406262 0.69 ALDH1A1 (0.39) KMT2AALDH1A1KDM4ENPC1RAB9A

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 disclosed