Phenylalanine

Phenylalanine

SCHEMBL7906184

CC(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
ACE P12821 5/20 0.44
HDAC8 Q9BY41 3/20 0.43
DPP4 P27487 3/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
FAP Q12884 1/20 0.40
TPH1 P17752 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL7904116 0.93 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7906150 0.91 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6935180 0.90 DPP4 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7896737 0.88 SLC7A5 (0.41) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6931447 0.87 CTSL (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7906161 0.87 GRB2 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7902867 0.87 SLC7A5 (0.39) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6936891 0.86 S1PR5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7905124 0.85 HDAC1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6932583 0.85 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