SCHEMBL4725515

SCHEMBL4725515

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COC(=O)C(C)(C)C)n3)cc2)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 3/20 0.47
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
PARP1 P09874 1/20 0.38

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
SCHEMBL4726316 0.83 PTPN1 (0.38) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL6000167 0.82 PTPN1 (0.49) L3MBTL1RAB9ANPC1MAPTALDH1A1
SCHEMBL4726976 0.81 PTPN1 (0.36) L3MBTL1RAB9ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL5999810 0.80 PTPN1 (0.36) L3MBTL1RAB9ANPC1MAPTALDH1A1
SCHEMBL6000965 0.80 PTPN1 (0.40) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL6000020 0.80 PTPN1 (0.48) MAPTPTPN1PTPN2ALOX5
SCHEMBL4730043 0.79 PTPN1 (0.41) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL4729099 0.79 PTPN1 (0.37) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL6000861 0.79 PTPN1 (0.52) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL6000958 0.79 PTPN1 (0.44) L3MBTL1RAB9ANPC1MAPTALDH1A1

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
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