SCHEMBL5097140

SCHEMBL5097140

C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NN

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.57
OPRD1 P41143 7/20 0.57
OPRM1 P35372 4/20 0.57
OPRK1 P41145 1/20 0.57
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
LTA4H P09960 2/20 0.50
CTRB1 P17538 1/20 0.50
SLC15A1 P46059 1/20 0.50
MME P08473 1/20 0.50

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
SCHEMBL30051597 0.88 LTA4H (0.61) CTSCOPRD1OPRM1OPRK1ALPI
SCHEMBL30252512 0.88 LTA4H (0.61) CTSCOPRD1OPRM1OPRK1ALPI
SCHEMBL10972687 0.88 CTSC (0.57) CTSCOPRD1OPRM1OPRK1ALPI
SCHEMBL10971927 0.88 CTSC (0.57) CTSCOPRD1OPRM1OPRK1ALPI
SCHEMBL23194392 0.88 CTSC (0.60) CTSCOPRD1OPRM1OPRK1ALPI
SCHEMBL8787479 0.88 LTA4H (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL1711543 0.88 LTA4H (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL1711542 0.88 LTA4H (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL11113147 0.88 LTA4H (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL30025974 0.88 LTA4H (0.64) CTSCALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414106-B2 Synthesis of peptide α-thioesters LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2008-08-19 US disclosed
US-20070129537-A1 Synthesis of peptide alpha-thioesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-07 US disclosed