SCHEMBL2364635

SCHEMBL2364635

CCC(NC(C)=O)(C(=O)O)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CTSD P07339 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2364591 0.88 NFE2L2 (0.41) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL2365010 0.86 L3MBTL1 (0.50) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL2364652 0.79 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL9829581 0.77 CXCR2 (0.42) KMT2AALDH1A1MAPTRECQLLMNA
SCHEMBL9829583 0.77 CXCR2 (0.42) KMT2AALDH1A1MAPTRECQLLMNA
SCHEMBL2364807 0.75 ALDH1A1 (0.37) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL29675910 0.75 KMT2A (0.49) KMT2AMEN1ATMALDH1A1MTNR1A
SCHEMBL2364868 0.74 KMT2A (0.38) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL27403148 0.73 ALDH1A1 (0.41) KMT2AMEN1ATMALDH1A1MTNR1A
SCHEMBL8615774 0.73 KDM4E (0.38) KMT2AMEN1ALDH1A1GAAPOLB

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