SCHEMBL9544283

SCHEMBL9544283

C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
CTSL P07711 1/20 0.41
PTPN1 P18031 4/20 0.41
CDC25B P30305 4/20 0.41
PTPN2 P17706 2/20 0.41
CDC25A P30304 2/20 0.41
ATM Q13315 1/20 0.41
CAPN1 P07384 1/20 0.40
CMA1 P23946 2/20 0.40
CXCR3 P49682 1/20 0.39

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
SCHEMBL9544282 1.00 KMT2A (0.43) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL9542866 0.94 CACNA1B (0.39) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL9542864 0.94 CACNA1B (0.39) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL9545046 0.89 FNTA (0.41) KMT2AOPRM1OPRD1OPRK1ATM
SCHEMBL9545049 0.89 FNTA (0.41) KMT2AOPRM1OPRD1OPRK1ATM
SCHEMBL9544879 0.88 ACE (0.51) KMT2AMEN1CMA1CXCR3
SCHEMBL9544886 0.88 ACE (0.51) KMT2AMEN1CMA1CXCR3
SCHEMBL9544383 0.88 FNTA (0.46) KMT2ACTSLCAPN1CMA1
SCHEMBL9544378 0.88 FNTA (0.46) KMT2ACTSLCAPN1CMA1
SCHEMBL9545323 0.85 CXCR3 (0.41) OPRM1OPRD1OPRK1ATMCMA1

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed