SCHEMBL6830631

SCHEMBL6830631

S=P(S)(S)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6831598 0.80 GLA (0.50) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL3074205 0.78 GLA (0.58) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL3979150 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL6831595 0.74 GLA (0.43) GLAALDH1A1HSD17B10CYP3A4EPHX1
SCHEMBL3976091 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL3977872 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL6831668 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL10874395 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL29141705 0.72 ALDH1A1 (0.60) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL11140411 0.70 GLA (0.50) GLAALDH1A1HSD17B10CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed