SCHEMBL14975259

SCHEMBL14975259

Cc1ccc(C[C@@H](N)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SYK P43405 1/20 0.43
ATM Q13315 1/20 0.42
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HCRTR2 O43614 2/20 0.40
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL22153160 0.89 CTSS (0.53) MMP2SYKCTSSCTSK
SCHEMBL13821639 0.88 CTSS (0.54) MMP2SYKATMCTSSCTSK
SCHEMBL13821708 0.88 GAA (0.51) MMP2MAPTPPARGPPARASYK
SCHEMBL2548981 0.87 MMP2 (0.58) MMP2SYKATMCTSSCTSK
SCHEMBL3604545 0.87 MMP2 (0.58) MMP2SYKATMCTSSCTSK
SCHEMBL2548977 0.87 MMP2 (0.58) MMP2SYKATMCTSSCTSK
SCHEMBL13821434 0.85 CTSS (0.58) MMP2SYKATMCTSSCTSK
SCHEMBL13821570 0.85 CYP17A1 (0.48) MMP2SYKATMCTSSCTSK
SCHEMBL13821710 0.84 POLB (0.47) MMP2MAPTSYKATMCTSS
SCHEMBL21447461 0.84 OPRM1 (0.53) ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782917-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Cancer Research Technology Limited (GB) 2014-10-01 EP disclosed
WO-2013078126-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-05-30 WO disclosed