SCHEMBL9542864

SCHEMBL9542864

CC(OCc1ccc(Cl)cc1)C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 2/20 0.39
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
PTPN1 P18031 4/20 0.37
CDC25B P30305 4/20 0.37
PTPN2 P17706 2/20 0.37
CDC25A P30304 2/20 0.37
CTSL P07711 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL9542866 1.00 CACNA1B (0.39) CACNA1BMEN1KMT2ACCR1OPRM1
SCHEMBL9544283 0.94 KMT2A (0.43) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL9544282 0.94 KMT2A (0.43) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL9545046 0.85 FNTA (0.41) KMT2AOPRM1OPRD1OPRK1
SCHEMBL9545049 0.85 FNTA (0.41) KMT2AOPRM1OPRD1OPRK1
SCHEMBL9544378 0.84 FNTA (0.46) KMT2ACTSL
SCHEMBL9544383 0.84 FNTA (0.46) KMT2ACTSL
SCHEMBL9542781 0.83 CCKBR (0.47) MEN1KMT2ACCR1OPRM1OPRD1
SCHEMBL9542784 0.83 CCKBR (0.47) MEN1KMT2ACCR1OPRM1OPRD1
SCHEMBL9544879 0.83 ACE (0.51) MEN1KMT2A

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