SCHEMBL1664293

SCHEMBL1664293

COC(=O)c1cc(NC(=O)CSSCCNCCCCCC2CCSS2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.42
PTPRF P10586 9/20 0.42
PTPN2 P17706 9/20 0.42
PTPN1 P18031 9/20 0.42
KMT2A Q03164 1/20 0.36
ACHE P22303 3/20 0.36
EPHX2 P34913 1/20 0.36
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL1662257 0.91 PTPRF (0.42) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL12798742 0.89 PTPRF (0.47) BCHEPTPRFPTPN2PTPN1ACHE
SCHEMBL1657906 0.89 PTPRF (0.47) BCHEPTPRFPTPN2PTPN1ACHE
SCHEMBL1657894 0.82 PTPRF (0.59) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL1657891 0.82 PTPRF (0.59) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL1664516 0.81 EGFR (0.45) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL1664515 0.81 EGFR (0.45) BCHEPTPRFPTPN2PTPN1KMT2A
SCHEMBL12797573 0.80 PTPRF (0.47) BCHEPTPRFPTPN2PTPN1ACHE
SCHEMBL1657084 0.80 PTPRF (0.47) BCHEPTPRFPTPN2PTPN1ACHE
SCHEMBL1662173 0.73 NAAA (0.44) BCHEKMT2AACHEALDH1A1

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-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed