SCHEMBL6831595

SCHEMBL6831595

O=P(S)(S)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
CA1 P00915 5/20 0.41
CA12 O43570 5/20 0.41
MMP2 P08253 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MMP1 P03956 2/20 0.41
MMP8 P22894 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 6/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL6831667 0.80 MMP2 (0.48) GLACA1CA12MMP2CA2
SCHEMBL3081557 0.78 GLA (0.46) GLACA1CA12MMP2CA2
SCHEMBL11140410 0.77 MMP2 (0.46) GLACA1CA12MMP2CA2
SCHEMBL10874038 0.74 ANPEP (0.44) GLACA1CA12MMP2CA2
SCHEMBL7079587 0.74 MMP2 (0.52) GLACA1CA12MMP2CA2
SCHEMBL10933815 0.74 GLA (0.43) GLACA1CA12MMP2CA2
SCHEMBL6830631 0.74 GLA (0.54) GLACA1CA12MMP2CA2
SCHEMBL28665441 0.70 GLA (0.40) GLACA1CA12MMP2CA2
SCHEMBL3083276 0.70 GLA (0.40) GLACA1CA12MMP2CA2
SCHEMBL6831598 0.70 GLA (0.50) GLACA1CA12MMP2CA2

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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed