SCHEMBL3283445

SCHEMBL3283445

COC(=O)c1cc(S(=O)(=O)O)c(C(=O)OC)cc1[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.42
CA2 P00918 5/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA5A P35218 1/20 0.40
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL11760833 0.85 CDK1 (0.46) CDK1CA2CA1CA9CA5A
SCHEMBL5655672 0.74 ALDH1A1 (0.44) CA2CA1CA9CA5AKDM4E
SCHEMBL3339520 0.73 KDM4E (0.39) CDK1CA2CA1CA9CA5A
SCHEMBL17363911 0.72 CA2 (0.61) CDK1CA2CA1CA9CA5A
SCHEMBL3339517 0.72 KDM4E (0.58) CA2CA1CA9CA5AKDM4E
SCHEMBL27397618 0.72 KDM4E (0.54) CDK1CA2CA1CA9CA5A
SCHEMBL9437987 0.72 CA1 (0.47) CDK1CA2CA1CA9CA5A
SCHEMBL10170553 0.72 KDM4E (0.51) CDK1CA2CA1CA9CA5A
SCHEMBL8903643 0.72 CDK1 (0.39) CDK1CA2CA1CA9CA5A
SCHEMBL7781099 0.71 ALDH1A1 (0.40) CDK1CA2CA1CA9CA5A

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
EP-1252219-B1 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA (US) 2006-08-16 EP claimed
US-6576716-B1 Reacting sulfo salt-substituted aromatic carboxylic acid and alcohol; ester interchange or esterification with polyethylene terephthalate homo- or copolymer RHODIA, INC 2003-06-10 US claimed
EP-1252219-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2002-10-30 EP claimed
WO-2001040349-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2001-06-07 WO claimed
US-20180305859-A1 PATTERN COATED TEXTILE FOR ACTIVE COOLING MILLIKEN & COMPANY 2018-10-25 US disclosed
US-20180305860-A1 PATTERN COATED TEXTILE FOR ACTIVE COOLING MILLIKEN & COMPANY 2018-10-25 US disclosed
US-7713674-B2 Emulsion polymerization process XEROX CORPORATION (US) 2010-05-11 US disclosed
US-20070059630-A1 Emulsion polymerization process XEROX CORPORATION 2007-03-15 US disclosed
US-6576716-B1 Reacting sulfo salt-substituted aromatic carboxylic acid and alcohol; ester interchange or esterification with polyethylene terephthalate homo- or copolymer RHODIA, INC 2003-06-10 US disclosed