SCHEMBL4050707

SCHEMBL4050707

CC(C)c1ccc(OCc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
PTPN1 P18031 5/20 0.40
HPGD P15428 6/20 0.38
HTT P42858 1/20 0.38
CISD1 Q9NZ45 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AR P10275 2/20 0.35

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
SCHEMBL4050710 1.00 ALOX5 (0.41) ALOX5PTPN1HPGDHTTCISD1
SCHEMBL4059813 1.00 ALOX5 (0.41) ALOX5PTPN1HPGDHTTCISD1
SCHEMBL4059814 1.00 ALOX5 (0.41) ALOX5PTPN1HPGDHTTCISD1
SCHEMBL4053974 0.93 PTPN1 (0.39) ALOX5PTPN1HPGDPOLBMAOA
SCHEMBL4055053 0.93 PTPN1 (0.39) ALOX5PTPN1HPGDCISD1POLB
SCHEMBL4053976 0.93 PTPN1 (0.39) ALOX5PTPN1HPGDPOLBMAOA
SCHEMBL4051990 0.92 PTPN1 (0.39) ALOX5PTPN1HPGDPOLBMAOA
SCHEMBL4053526 0.92 PTPN1 (0.39) ALOX5PTPN1HPGDPOLBMAOA
SCHEMBL4048862 0.92 MEN1 (0.41) ALOX5PTPN1HPGDCISD1POLB
SCHEMBL4057137 0.92 PTPN1 (0.40) ALOX5PTPN1HPGDCISD1POLB

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed