SCHEMBL9544239

SCHEMBL9544239

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CXCR3 P49682 3/20 0.45
ABCB1 P08183 1/20 0.45
CTSL P07711 1/20 0.44
KLK7 P49862 3/20 0.44
KLK5 Q9Y337 3/20 0.44
PREP P48147 2/20 0.42
CTSS P25774 1/20 0.42
CASP1 P29466 1/20 0.42
MAPT P10636 1/20 0.42
PPARA Q07869 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9544279 0.84 CTSK (0.52) CXCR3CTSSATM
SCHEMBL9544282 0.82 KMT2A (0.43) CXCR3CTSLATM
SCHEMBL9544283 0.82 KMT2A (0.43) CXCR3CTSLATM
SCHEMBL9543316 0.81 CTSK (0.50) CXCR3CTSS
SCHEMBL9543837 0.79 ELANE (0.47) CXCR3ATM
SCHEMBL1300212 0.79 ACE (0.61) SYKITGB3ITGA2BCTSLKLK5
SCHEMBL1300209 0.79 ACE (0.61) SYKITGB3ITGA2BCTSLKLK5
SCHEMBL9544378 0.78 FNTA (0.46) CTSL
SCHEMBL9544085 0.78 CTSS (0.48) CXCR3CTSSATM
SCHEMBL9544383 0.78 FNTA (0.46) CTSL

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