SCHEMBL17151908

SCHEMBL17151908

COC(=O)[C@](C)(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.47
MIF P14174 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ESR1 P03372 5/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 4/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
CYP17A1 P05093 1/20 0.36
NQO2 P16083 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL14477215 1.00 PTPRB (0.47) PTPRBMIFCTSSCTSKESR1
SCHEMBL28928144 0.94 MIF (0.43) PTPRBMIFCTSSCTSKESR1
SCHEMBL24961601 0.94 MIF (0.43) PTPRBMIFCTSSCTSKESR1
SCHEMBL2573120 0.88 BLM (0.50) PTPRBMIFCTSSCTSKESR1
SCHEMBL2982712 0.88 BLM (0.50) PTPRBMIFCTSSCTSKESR1
SCHEMBL31195633 0.87 PTPRB (0.46) PTPRBCTSSCTSKMEN1TSHR
SCHEMBL2210445 0.87 CA12 (0.49) PTPRBCTSSCTSKMEN1KMT2A
SCHEMBL2210451 0.87 CA12 (0.49) PTPRBCTSSCTSKMEN1KMT2A
SCHEMBL4327262 0.85 BLM (0.49) PTPRBESR1BLMESR2MEN1
SCHEMBL2028008 0.84 CYP17A1 (0.50) PTPRBCYP17A1

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-2015152128-A1 AMINO ACID PRECURSOR, AMINO ACID, AND PRODUCTION METHOD FOR AMINO ACID, AND PET DIAGNOSTIC TRACER USING AMINO ACID 長瀬産業株式会社 2015-10-08 WO disclosed