SCHEMBL4728571

SCHEMBL4728571

CC(C)(C)[SiH2]OC(C)(C)c1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.71
ALDH1A1 P00352 4/20 0.71
RAB9A P51151 6/20 0.67
NPC1 O15118 4/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 4/20 0.65
KDM4E B2RXH2 2/20 0.62
PKM P14618 2/20 0.62
GAA P10253 1/20 0.62
APEX1 P27695 1/20 0.62
RECQL P46063 1/20 0.62
MEN1 O00255 4/20 0.56
KMT2A Q03164 3/20 0.56
PARP1 P09874 1/20 0.43
PPARD Q03181 4/20 0.39
GSTO1 P78417 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
SCHEMBL4729131 0.83 ALDH1A1 (0.46) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4729103 0.80 ALDH1A1 (0.43) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4726570 0.79 RAB9A (0.76) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4784274 0.79 RAB9A (0.76) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4727751 0.78 RAB9A (0.74) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4728570 0.76 RAB9A (0.69) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL5522127 0.74 RAB9A (0.67) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL1198549 0.72 L3MBTL1 (0.76) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL4728566 0.72 RAB9A (0.64) L3MBTL1ALDH1A1RAB9ANPC1CASP3
SCHEMBL1927912 0.71 MAPT (0.69) L3MBTL1ALDH1A1RAB9ANPC1CASP3

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-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed