SCHEMBL599807

SCHEMBL599807

O=C(O)c1ccc2ccccc2c1SSc1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.63
LDHA P00338 1/20 0.61
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
USP2 O75604 1/20 0.55
PAK1 Q13153 1/20 0.55
CDC25B P30305 1/20 0.50
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.45
GPR35 Q9HC97 1/20 0.45
MEN1 O00255 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
SCHEMBL6843928 0.89 WDR5 (0.63) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL8891975 0.84 WDR5 (0.58) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7542084 0.79 WDR5 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL29721418 0.78 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL895573 0.78 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL12427691 0.77 WDR5 (0.50) WDR5LDHANR4A1NR4A2NR4A3
Phenanthrene SCHEMBL29265471 0.77 NR4A1 (0.75) WDR5LDHANR4A1NR4A2NR4A3
Phenanthrene SCHEMBL31651179 0.77 NR4A1 (0.75) WDR5LDHANR4A1NR4A2NR4A3
Carboxynaphthol SCHEMBL25244 0.76 LDHA (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL164035 0.76 WDR5 (0.68) WDR5LDHANR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759264-B2 Water-based hydraulic fluids comprising dithio-di(aryl carbolic acids) CLARIENT FINANCE (BVI) LIMITED (VG) 2014-06-24 US disclosed
EP-2379687-B1 WATER-BASED HYDRAULIC FLUIDS COMPRISING DITHIO-DI(ARYL CARBOLIC ACIDS) CLARIANT FINANCE BVI LTD (VG) 2013-04-24 EP disclosed
US-20120040875-A1 Water-Based Hydraulic Fluids Comprising Dithio-Di(Aryl Carbolic Acids) CLARIANT FINANCE (BVI) LIMITED (VG) 2012-02-16 US disclosed