SCHEMBL7906150

SCHEMBL7906150

CC(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
TPH1 P17752 10/20 0.40
ACE P12821 3/20 0.38
ABCB1 P08183 1/20 0.37

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
Phenylalanine SCHEMBL7906184 0.91 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7904116 0.89 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6931447 0.87 CTSL (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7896737 0.86 SLC7A5 (0.41) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6935180 0.84 DPP4 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7906161 0.83 GRB2 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7902867 0.83 SLC7A5 (0.39) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6936891 0.82 S1PR5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7905124 0.82 HDAC1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6932583 0.82 PTPN1 (0.46) SLC7A5ALPIPKMPTGS1XIAP

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-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed