SCHEMBL1667022

SCHEMBL1667022

NC(Cc1ccc(OC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.73
PCNA P12004 1/20 0.56
PTPN1 P18031 1/20 0.54
PTGS1 P23219 3/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
XIAP P98170 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ALOX15 P16050 3/20 0.50
HIF1A Q16665 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL11370023 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL11520038 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL8168147 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL11676390 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL60228 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL10978818 1.00 SLC7A5 (0.73) SLC7A5PCNAPTPN1PTGS1ALPI
SCHEMBL17164598 0.93 SLC7A5 (0.63) SLC7A5PCNAPTPN1PTGS1ALPI
Tyrosine SCHEMBL12471723 0.92 SLC7A5 (0.65) SLC7A5PCNAPTPN1PTGS1ALPI
Phenylalanine SCHEMBL5608077 0.89 SLC7A5 (0.69) SLC7A5PTPN1PTGS1ALPIPKM
Phenylalanine SCHEMBL5699042 0.89 SLC7A5 (0.69) SLC7A5PTPN1PTGS1ALPIPKM

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
WO-2011044567-A1 BIOCOMPATIBLE POLYMERS FOR MEDIAL DEVICES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-04-14 WO disclosed