SCHEMBL7987632

SCHEMBL7987632

CN(C(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c1)NC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
F2 P00734 16/20 0.42
PRSS1 P07477 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL7981047 0.89 PTPN1 (0.51) PTPN1F2PRSS1CTSSCTSK
SCHEMBL7221311 0.81 KLK5 (0.49) PTPN1CTSSCTSK
SCHEMBL8109137 0.79 PTPN1 (0.47) PTPN1F2PRSS1CTSSCTSK
SCHEMBL5788159 0.78 KLK5 (0.48) PTPN1CTSSCTSK
SCHEMBL15544466 0.76 ACE (0.48) PTPN1CTSSCTSK
SCHEMBL7984262 0.76 PTPN1 (0.51) PTPN1F2CTSSCTSKCACNA1B
SCHEMBL7987630 0.75 MEN1 (0.37)
SCHEMBL8300267 0.74 KLK5 (0.48) PTPN1CTSSCTSK
SCHEMBL9963892 0.73 JAK3 (0.48) PTPN1CTSSCTSK
SCHEMBL7987575 0.73 SCN9A (0.51) PTPN1CTSSCTSK

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