SCHEMBL4866783

SCHEMBL4866783

O=C(NCCCOc1ccccc1)C(Cc1cc[c]cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
MAPK1 P28482 1/20 0.48
MMP2 P08253 6/20 0.47
MMP9 P14780 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPY5R Q15761 1/20 0.47
LMNA P02545 1/20 0.45
ADAMTS4 O75173 1/20 0.45
F2 P00734 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
BMP1 P13497 2/20 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
SCHEMBL4866780 1.00 ITGB3 (0.49) ITGB3ITGA2BMAPK1MMP2MMP9
SCHEMBL4864939 0.93 MMP2 (0.49) ITGB3ITGA2BMAPK1MMP2MMP9
SCHEMBL4864934 0.93 MMP2 (0.49) ITGB3ITGA2BMAPK1MMP2MMP9
SCHEMBL5499234 0.91 CTSL (0.49) ITGB3ITGA2BMAPK1MMP2SMN1; SMN2
SCHEMBL5499235 0.91 CTSL (0.49) ITGB3ITGA2BMAPK1MMP2SMN1; SMN2
SCHEMBL5509174 0.88 ADAMTS4 (0.46) ITGB3ITGA2BMAPK1MMP2MMP9
SCHEMBL3740341 0.82 ITGB3 (0.49) ITGB3ITGA2BMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3740339 0.82 ITGB3 (0.49) ITGB3ITGA2BMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3740343 0.81 ITGB3 (0.48) ITGB3ITGA2BMAPK1MMP2MMP9
SCHEMBL5505502 0.81 AVPR1B (0.49) MAPK1MMP2MMP9SMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed