SCHEMBL6139924

SCHEMBL6139924

COS(=O)(=O)CCSc1ccccc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7917142 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRHSD17B10MTNR1A
SCHEMBL9061813 0.77 ALDH1A1 (0.61) ALDH1A1MAPK1MTNR1AMTNR1BNPC1
SCHEMBL6140666 0.76 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRMTNR1AMTNR1B
SCHEMBL30137224 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1MTNR1AMTNR1BNPC1
SCHEMBL6139978 0.72 PSIP1 (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL5236263 0.70 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRHSD17B10MTNR1A
SCHEMBL6140391 0.70 KCNA3 (0.50) ALDH1A1MTNR1AMTNR1BRAB9AMAPT
SCHEMBL1025612 0.70 ALDH1A1 (0.64) ALDH1A1MAPK1TSHRHSD17B10MTNR1A
SCHEMBL9647380 0.69 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRHSD17B10MTNR1A
SCHEMBL3250700 0.69 CA2 (0.48) ALDH1A1SMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256608-B1 Inkjet inks HEWLETT PACKARD CO (US) 2005-11-30 EP claimed
US-6602335-B2 For dispersing a pigment in an aqueous solution; eliminating the need for a dispersant; ink jets HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2003-08-05 US claimed
US-20020195022-A1 Pigment solubilization via treatment with strong base and substitution HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2002-12-26 US claimed
EP-1256608-A2 Inkjet inks Hewlett-Packard Company (US) 2002-11-13 EP claimed
EP-1256608-B1 Inkjet inks HEWLETT PACKARD CO (US) 2005-11-30 EP disclosed
US-6602335-B2 For dispersing a pigment in an aqueous solution; eliminating the need for a dispersant; ink jets HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2003-08-05 US disclosed
US-20020195022-A1 Pigment solubilization via treatment with strong base and substitution HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2002-12-26 US disclosed
EP-1256608-A2 Inkjet inks Hewlett-Packard Company (US) 2002-11-13 EP disclosed