SCHEMBL4056340

SCHEMBL4056340

CN1C(=O)C(=Cc2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)SC1=Nc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.83
DUSP26 Q9BV47 3/20 0.56
ACP1 P24666 6/20 0.53
PTPN2 P17706 3/20 0.52
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
AURKA O14965 1/20 0.44
MGAM O43451 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL4056339 1.00 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL13689596 1.00 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4056110 0.92 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4056109 0.92 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4053602 0.89 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL13689587 0.89 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4053603 0.89 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4053688 0.88 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053691 0.88 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL13689583 0.88 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2ITGB3

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-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed