SCHEMBL4058028

SCHEMBL4058028

CCC(CC)Oc1cccc(COc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.41
ALOX5 P09917 5/20 0.39
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ENPP2 Q13822 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PTPN1 P18031 4/20 0.35
AR P10275 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.34
DUSP26 Q9BV47 1/20 0.34

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
SCHEMBL4050377 0.91 PTPN1 (0.40) ALOX5ENPP2PTPN1ARHPGD
SCHEMBL4054034 0.85 ALOX5 (0.46) ALOX5NPC1RAB9AENPP2PTPN1
SCHEMBL4054032 0.85 ALOX5 (0.46) ALOX5NPC1RAB9AENPP2PTPN1
SCHEMBL4053526 0.85 PTPN1 (0.39) ALOX5PTPN1ARHPGDPOLB
SCHEMBL4051990 0.85 PTPN1 (0.39) ALOX5PTPN1ARHPGDPOLB
SCHEMBL4052876 0.84 PTPN1 (0.49) CISD1ALOX5ENPP2PTPN1AR
SCHEMBL4052873 0.84 PTPN1 (0.49) CISD1ALOX5ENPP2PTPN1AR
SCHEMBL4053974 0.84 PTPN1 (0.39) ALOX5NPC1RAB9APTPN1AR
SCHEMBL4053976 0.84 PTPN1 (0.39) ALOX5NPC1RAB9APTPN1AR
SCHEMBL4054943 0.84 HPGD (0.48) ALOX5RAB9APTPN1HPGD

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