SCHEMBL21367031

SCHEMBL21367031

C=CCC(CC(=O)OC(C)(C)C)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RCE1 Q9Y256 1/20 0.39
SYK P43405 1/20 0.38
PPARA Q07869 1/20 0.38
PAX8 Q06710 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 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
SCHEMBL21367030 1.00 USP2 (0.45) USP2L3MBTL1NPSR1RCE1SYK
SCHEMBL21367029 0.85 ABCB1 (0.43) L3MBTL1RCE1SLC1A3SLC1A2SLC1A1
SCHEMBL14209809 0.83 TSHR (0.50) L3MBTL1RCE1SLC1A3SLC1A2SLC1A1
SCHEMBL1776277 0.77 SMN1; SMN2 (0.43) L3MBTL1RCE1SLC1A3SLC1A2SLC1A1
SCHEMBL26226870 0.76 LTA4H (0.40) NPSR1SYKPPARACTSS
SCHEMBL5492424 0.76 SLC1A1 (0.50) SYKPPARASLC1A3SLC1A2SLC1A1
SCHEMBL8092704 0.75 SYK (0.41) USP2NPSR1SYKPPARASLC1A3
SCHEMBL6154700 0.75 SYK (0.45) L3MBTL1SYKPPARAKMT2A
SCHEMBL16370105 0.74 SLC1A3 (0.39) L3MBTL1RCE1SLC1A3SLC1A2SLC1A1
SCHEMBL22490406 0.74 MEN1 (0.40) L3MBTL1RCE1SLC1A3SLC1A2SLC1A1

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-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO disclosed