SCHEMBL11097078

SCHEMBL11097078

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
CTSC P53634 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
LTA4H P09960 1/20 0.51
MME P08473 2/20 0.49
GNPAT O15228 1/20 0.48
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Bromide SCHEMBL11100327 0.88 OPRK1 (0.50) OPRK1CTSCALPIPKMPTGS1
SCHEMBL2336902 0.87 OPRK1 (0.44) OPRK1CTSCSLC7A5LTA4HMME
SCHEMBL30999375 0.84 CTSC (0.50) OPRK1CTSCALPIPKMPTGS1
SCHEMBL5065345 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL30581399 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL1329567 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL7355800 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL30581391 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL825577 0.84 MME (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL7325810 0.84 FOLH1 (0.57) OPRK1CTSCALPIPKMPTGS1

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
US-4438249-A Biodegradable polyurethane urea acyl semicarbazides for the manufacture of biodegradable alloimplants LIPATOVA TATYANA E (SU) 1984-03-20 US disclosed