SCHEMBL7981047

SCHEMBL7981047

CN(C(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
F2 P00734 13/20 0.46
PRSS1 P07477 2/20 0.46
CACNA1B Q00975 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ABCB1 P08183 1/20 0.43
BCL2 P10415 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL7987632 0.89 PTPN1 (0.46) PTPN1F2PRSS1CACNA1BCTSS
SCHEMBL9963892 0.84 JAK3 (0.48) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL7987575 0.83 SCN9A (0.51) PTPN1ITGB3ITGA2BBCL2CTSS
SCHEMBL1932580 0.82 ITGB3 (0.61) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL2847835 0.82 ITGB3 (0.61) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL2853779 0.82 ITGB3 (0.61) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL2856829 0.81 ITGB3 (0.52) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL18235378 0.81 ITGB3 (0.52) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL2856826 0.81 ITGB3 (0.52) PTPN1ITGB3ITGA2BABCB1BCL2
SCHEMBL7984262 0.81 PTPN1 (0.51) PTPN1F2CACNA1BITGB3ITGA2B

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
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US claimed