SCHEMBL21367006

SCHEMBL21367006

C=CCC1(C)C(=O)CN(C(=O)OC(C)(C)C)C1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BUB1 O43683 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP19A1 P11511 1/20 0.31
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21367005 1.00 PTPN1 (0.34) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL22968909 1.00 PTPN1 (0.34) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL21367151 0.89 MEN1 (0.33) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL22968912 0.87 PTPN1 (0.30) PTPN1
SCHEMBL6796073 0.87 PTPN1 (0.35) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL21360164 0.85 GAA (0.36) ALDH1A1KDM4EGAAMAPTNPSR1
SCHEMBL31367137 0.85 PTPN1 (0.34) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL26467602 0.83 PTPN1 (0.33) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL26467780 0.83 PTPN1 (0.33) PTPN1F13A1TGM2TGM1ALDH1A1
SCHEMBL26466302 0.82 ALDH1A1 (0.33) PTPN1F13A1TGM2TGM1ALDH1A1

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