SCHEMBL8848946

SCHEMBL8848946

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
SLC15A1 P46059 2/20 0.47
FOLH1 Q04609 2/20 0.46
LTA4H P09960 1/20 0.45
MMP2 P08253 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CPA3 P15088 1/20 0.44
ANPEP P15144 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
ACE P12821 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SRR Q9GZT4 1/20 0.42

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
SCHEMBL8835936 0.88 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288607 0.88 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28820471 0.88 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9003809 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29160724 0.87 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9521810 0.86 SLC7A5 (0.54) SLC7A5HDAC8
SCHEMBL28126901 0.84 SLC15A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3732241 0.84 SLC15A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6259105 0.83 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1537320 0.83 ALPI (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646316-A ANTIMETASTASIS AND ANTITUMOR AGENTS OSTEOARTHRITIS SCIENCES, INC. (US) 1997-07-08 US disclosed