SCHEMBL3976091

SCHEMBL3976091

NP(N)(=S)NC1CCCCCCC1

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
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
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 2/20 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

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
SCHEMBL3979150 1.00 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL3977872 1.00 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
Diamidophosphate SCHEMBL29235170 0.89 GLA (0.45) GLAALDH1A1CYP3A4TP53LMNA
SCHEMBL3074205 0.78 GLA (0.58) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL10874038 0.74 ANPEP (0.44) GLAALDH1A1HSD17B10CYP3A4CA1
SCHEMBL6830631 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL6831668 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL10874395 0.74 GLA (0.54) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL11140411 0.70 GLA (0.50) GLAALDH1A1HSD17B10CYP3A4TP53
SCHEMBL3083276 0.70 GLA (0.40) GLAALDH1A1HSD17B10CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057258-A1 USE OF PHOSPHORIC TRIAMIDES IN CLEANER AND HYGIENE APPLICATIONS BASF SE (DE) 2009-05-13 EP claimed
EP-2056889-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2009-05-13 EP claimed
WO-2008022919-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2008-02-28 WO claimed
WO-2008022925-A1 USE OF PHOSPHORIC TRIAMIDES IN CLEANER AND HYGIENE APPLICATIONS BASF SE (DE) 2008-02-28 WO claimed
EP-2056889-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2009-05-13 EP disclosed
WO-2008022919-A1 USE OF PHOSPHORIC TRIAMIDES IN TOILETS BASF SE (DE) 2008-02-28 WO disclosed