SCHEMBL9350595

SCHEMBL9350595

CC(O)C([C]=O)NC(=O)C(N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.57
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
CTRB1 P17538 3/20 0.47
SLC15A1 P46059 1/20 0.47
LTA4H P09960 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRD1 P41143 5/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45

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
SCHEMBL9350598 1.00 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL1645427 0.90 CTSC (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL9637178 0.86 CTSC (0.54) CTSCALPIPKMPTGS1XIAP
SCHEMBL9637180 0.86 CTSC (0.54) CTSCALPIPKMPTGS1XIAP
SCHEMBL4082518 0.86 CTSC (0.42) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL2180720 0.84 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL8046880 0.84 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL8046881 0.84 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL9638023 0.82 CTSC (0.50) CTSCCYP3A4OPRD1OPRM1OPRK1
SCHEMBL9638027 0.82 CTSC (0.50) CTSCCYP3A4OPRD1OPRM1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339217-B1 Specific peptide bond cleavage by organic tertiary phosphines with nucleophilic side chains CARTER WALLACE (US) 1994-09-21 EP disclosed
US-4956467-A CLEAVAGE OF PROTEINS AND SEQUENCE DETERMINATION AMERICAN CYANAMID COMPANY (US) 1990-09-11 US disclosed
EP-0339217-A2 Specific peptide bond cleavage by organic tertiary phosphines with nucleophilic side chains CARTER-WALLACE, INC. (US) 1989-11-02 EP disclosed