SCHEMBL9544075

SCHEMBL9544075

CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
CMA1 P23946 2/20 0.42
ACE P12821 1/20 0.42
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

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
SCHEMBL9544080 1.00 CTSL (0.43) CTSLKMT2AMEN1CMA1ACE
SCHEMBL9544800 0.82 ELANE (0.49) CTSLKMT2AMEN1CMA1ACE
SCHEMBL9544805 0.82 ELANE (0.49) CTSLKMT2AMEN1CMA1ACE
SCHEMBL9544084 0.81 ACE (0.40) CTSLKMT2ACMA1ACE
SCHEMBL9544879 0.79 ACE (0.51) KMT2AMEN1CMA1ACE
SCHEMBL9544886 0.79 ACE (0.51) KMT2AMEN1CMA1ACE
SCHEMBL9543587 0.79 CCKBR (0.53) KMT2AMEN1
SCHEMBL9543592 0.79 CCKBR (0.53) KMT2AMEN1
SCHEMBL12018371 0.77 PPARA (0.55) CTSLKMT2AMEN1ACEPTPN1
SCHEMBL400186 0.77 PPARA (0.55) CTSLKMT2AMEN1ACEPTPN1

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