SCHEMBL4050774

SCHEMBL4050774

CCOC(=O)C(O)c1ccc(N=C2SC(=Cc3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)C(=O)N2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.76
DUSP26 Q9BV47 3/20 0.50
ACP1 P24666 4/20 0.45
PTPN2 P17706 2/20 0.45
AURKA O14965 5/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MGAM O43451 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL4053519 0.93 PTPN1 (0.74) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL13689583 0.93 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL13689595 0.88 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4052850 0.86 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4052846 0.86 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056109 0.86 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056110 0.86 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053691 0.85 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053688 0.85 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056339 0.85 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA

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