SCHEMBL4709529

SCHEMBL4709529

O=C(O)c1ccc(S(=O)(=O)O)c2c(S(=O)(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
TSHR P16473 4/20 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
SCHEMBL11422725 0.87 CYP1A2 (0.50) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL9621075 0.81 AURKA (0.42) CYP1A2ALDH1A1HSD17B10TDP1HPGD
SCHEMBL10349435 0.79 CYP1A2 (0.50) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL3129169 0.79 AURKA (0.50) CYP1A2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL3128659 0.79 TYMS (0.47) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL29417502 0.78 CYP1A2 (1.00) CYP1A2ALDH1A1HSD17B10CASP1KDM4E
SCHEMBL22122 0.78 CYP1A2 (1.00) CYP1A2ALDH1A1HSD17B10CASP1KDM4E
SCHEMBL7517756 0.77 AURKA (0.49) CYP1A2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL7127119 0.77 TYMS (0.46) CYP1A2ALDH1A1HSD17B10CASP1CASP7
SCHEMBL8606449 0.77 HSD17B10 (0.42) CYP1A2ALDH1A1HSD17B10CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994070-A1 SULFONATED AROMATIC POLYESTER POLYOL CMPOSITIONS Oxid, L.P. (US) 2008-11-26 EP disclosed
WO-2007100489-A1 SULFONATED AROMATIC POLYESTER POLYOL CMPOSITIONS OXID, L.P. (US) 2007-09-07 WO disclosed
US-20070208096-A1 Sulfonated aromatic polyester polyol compositions OXID L.P. 2007-09-06 US disclosed
EP-0837890-B1 SILYL TERMINATED SULFOPOLY(ESTER-URETHANE) COMPOSITIONS MINNESOTA MINING & MFG (US) 2002-09-04 EP disclosed
EP-0717057-B1 Low surface energy sulfo-polyurethane or sulfo-polyurea compositions MINNESOTA MINING & MFG (US) 2001-06-20 EP disclosed
US-5756633-A Silyl terminated sulfopoly(ester-urethane) compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-26 US disclosed
EP-0837890-A1 SILYL TERMINATED SULFOPOLY(ESTER-URETHANE) COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-29 EP disclosed
US-5679754-A INK RECEPTIVE COATINGS HAVING RELEASE PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-21 US disclosed
EP-0225800-B1 Hydrophilic polyurethane/polyurea sponge MINNESOTA MINING & MFG (US) 1997-05-14 EP disclosed
WO-1997003101-A1 SILYL TERMINATED SULFOPOLY(ESTER-URETHANE) COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-30 WO disclosed
EP-0717057-A1 Low surface energy sulfo-polyurethane or sulfo-polyurea compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-06-19 EP disclosed
EP-0582674-A1 ABSORBENT, NON-SKINNED FOAM AND THE METHOD OF PREPARATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-02-16 EP disclosed
WO-1992019445-A1 ABSORBENT, NON-SKINNED FOAM AND THE METHOD OF PREPARATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-11-12 WO disclosed
US-5110843-A Immersion in water of substrate coated with isocyanate terminated prepolymer MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-05-05 US disclosed
US-4738992-A Hydrophilic polyurethane/polyurea sponge MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-19 US disclosed
EP-0225800-A1 Hydrophilic polyurethane/polyurea sponge MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-06-16 EP disclosed
US-4638017-A SULKO-GROUP CONTAINING POLYUREA AND POLYURETHANE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-01-20 US disclosed