SCHEMBL6715410

SCHEMBL6715410

O=C(O)c1cc(SO)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.69
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
PTGS2 P35354 2/20 0.57
CA12 O43570 1/20 0.57
ALOX5 P09917 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
KDR P35968 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TNF P01375 1/20 0.53

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
SCHEMBL739200 0.85 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL341888 0.85 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL29623237 0.85 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL13346848 0.83 KDM4E (0.49) MCL1CA1CA2CA12CA7
SCHEMBL27854523 0.82 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL6400711 0.82 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL6401695 0.82 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL11449962 0.82 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL3187695 0.82 MCL1 (1.00) MCL1CA1CA2PTGS2CA12
SCHEMBL9367905 0.81 MCL1 (0.61) MCL1CA1CA2PTGS2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209012-A1 Ink-jet recording sheet with improved ozone resistance and light fastness FELIX SCHOELLER JR. FOTO - UND SPEZIALPAPIERE GMBH & CO. KG (DE) 2004-10-21 US claimed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US claimed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP claimed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO claimed
WO-2017093835-A1 WATER-SOLUBLE UV-ABSORBING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-08 WO disclosed
US-20040209012-A1 Ink-jet recording sheet with improved ozone resistance and light fastness FELIX SCHOELLER JR. FOTO - UND SPEZIALPAPIERE GMBH & CO. KG (DE) 2004-10-21 US disclosed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US disclosed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP disclosed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO disclosed