SCHEMBL9545046

SCHEMBL9545046

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ACE P12821 2/20 0.39
ATM Q13315 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
DRD2 P14416 3/20 0.39
CXCR3 P49682 2/20 0.38
CMA1 P23946 1/20 0.38
KMT2A Q03164 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
SCHEMBL9545049 1.00 FNTA (0.41) FNTAFNTBOPRM1OPRD1OPRK1
SCHEMBL9544383 0.91 FNTA (0.46) FNTAFNTBHDAC8CMA1KMT2A
SCHEMBL9544378 0.91 FNTA (0.46) FNTAFNTBHDAC8CMA1KMT2A
SCHEMBL9545327 0.89 CXCR3 (0.41) FNTAFNTBOPRM1OPRD1OPRK1
SCHEMBL9544282 0.89 KMT2A (0.43) OPRM1OPRD1OPRK1ATMCXCR3
SCHEMBL9545323 0.89 CXCR3 (0.41) FNTAFNTBOPRM1OPRD1OPRK1
SCHEMBL9544283 0.89 KMT2A (0.43) OPRM1OPRD1OPRK1ATMCXCR3
SCHEMBL9544919 0.88 HDAC3 (0.48) OPRM1OPRD1OPRK1ACEHDAC8
SCHEMBL9544910 0.88 HDAC3 (0.48) OPRM1OPRD1OPRK1ACEHDAC8
SCHEMBL9544288 0.87 CXCR3 (0.41) FNTAFNTBOPRM1OPRD1OPRK1

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