SCHEMBL16628200

SCHEMBL16628200

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.68
PKM P14618 1/20 0.68
PTGS1 P23219 1/20 0.68
XIAP P98170 1/20 0.68
SLC7A5 Q01650 1/20 0.68
ANPEP P15144 2/20 0.58
RNPEP Q9H4A4 1/20 0.58
DNPEP Q9ULA0 1/20 0.58
SLC15A1 P46059 1/20 0.58
LTA4H P09960 2/20 0.55
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52

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
SCHEMBL29169576 1.00 ALPI (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL660503 0.90 SLC7A5 (0.76) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL660504 0.90 SLC7A5 (0.76) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9266010 0.86 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1788900 0.84 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7365811 0.84 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1436467 0.83 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12134916 0.83 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2617113 0.83 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL23610507 0.82 SLC7A5 (0.85) ALPIPKMPTGS1XIAPSLC7A5

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
CN-117701665-A Methods for assessing respiratory viral infection 免疫与感染研究中心有限公司 2024-03-15 CN disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed