SCHEMBL7902867

SCHEMBL7902867

C=CCc1ccc(C[C@H](N)C(=O)O)cc1.CC(=O)N1CC(=S)C[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.39
PTGS1 P23219 3/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
XIAP P98170 1/20 0.37
TPH1 P17752 4/20 0.35
TYR P14679 5/20 0.34
GRB2 P62993 1/20 0.34
ALOX15 P16050 3/20 0.34
HIF1A Q16665 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
RECQL P46063 1/20 0.34

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 0.87 SLC7A5 (0.52) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7904116 0.85 SLC7A5 (0.45) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7906150 0.83 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7906161 0.83 GRB2 (0.47) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6932583 0.82 PTPN1 (0.46) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7904119 0.81 CYP3A4 (0.38) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7906163 0.80 L3MBTL1 (0.36) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6935180 0.80 DPP4 (0.47) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6931447 0.79 CTSL (0.40) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6934218 0.79 PTPN1 (0.43) SLC7A5PTGS1ALPIPKMXIAP

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