SCHEMBL6140666

SCHEMBL6140666

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 1/20 0.54
FFAR1 O14842 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
RECQL P46063 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA12 O43570 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11842736 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL28753439 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL29013708 0.82 CA2 (0.43) ALDH1A1MAPK1RAB9ANPC1CA1
SCHEMBL9061813 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL27988545 0.77 FFAR1 (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL6139924 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL25986916 0.74 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL30137224 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL7917142 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL10826200 0.73 MEN1 (0.58) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1

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 10 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
US-6323257-B1 WATER SOLUBLE REACTIVE GROUP TO JOIN TO A CHROMOPHORE TO A POLYMER HEWLETT-PACKARD COMPANY 2001-11-27 US 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
US-6323257-B1 WATER SOLUBLE REACTIVE GROUP TO JOIN TO A CHROMOPHORE TO A POLYMER HEWLETT-PACKARD COMPANY 2001-11-27 US disclosed