SCHEMBL4784274

SCHEMBL4784274

CC(C)(C)C(=O)OCc1nc(-c2ccc(C(=O)O)cc2)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.76
NPC1 O15118 6/20 0.76
L3MBTL1 Q9Y468 5/20 0.76
CASP3 P42574 1/20 0.76
SENP8 Q96LD8 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
SENP6 Q9GZR1 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
MAPT P10636 2/20 0.74
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 6/20 0.70
GAA P10253 2/20 0.70
PKM P14618 1/20 0.70
APEX1 P27695 1/20 0.70
RECQL P46063 1/20 0.70
MEN1 O00255 3/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL4726570 0.85 RAB9A (0.76) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL4727751 0.84 RAB9A (0.74) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL4728570 0.81 RAB9A (0.69) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL6000476 0.81 RAB9A (0.56) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL4728566 0.80 RAB9A (0.64) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL4728571 0.79 L3MBTL1 (0.71) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL5522127 0.79 RAB9A (0.67) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL459217 0.77 RAB9A (0.56) RAB9ANPC1L3MBTL1CASP3SENP8
Benzoic Acid SCHEMBL2284793 0.77 RAB9A (0.53) RAB9ANPC1L3MBTL1CASP3SENP8
SCHEMBL1927912 0.77 MAPT (0.69) RAB9ANPC1L3MBTL1CASP3SENP8

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 3 patents. 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
WO-2008033932-A2 BIARYLTHIAZOLE CARBOXYLIC ACID DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASE-IB INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
WO-2008033932-A2 BIARYLTHIAZOLE CARBOXYLIC ACID DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASE-IB INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed