SCHEMBL6525940

SCHEMBL6525940

CCCCCCCCCCCCCCCCSc1ccc(S(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.60
CA2 P00918 2/20 0.57
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 5/20 0.42
KDM6B O15054 2/20 0.41
KDM4A O75164 2/20 0.41
KDM4D Q6B0I6 2/20 0.41
KDM3B Q7LBC6 2/20 0.41
HIF1AN Q9NWT6 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
PTGS2 P35354 3/20 0.41
PLK1 P53350 4/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL27587056 0.79 S1PR3 (0.70) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6525943 0.77 S1PR3 (0.64) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11768735 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL11769795 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL9139729 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL12080328 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL231917 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL11301411 0.76 PTGS2 (0.58) CA2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL7029380 0.75 S1PR3 (1.00) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14429929 0.75 S1PR3 (0.61) S1PR3CA2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276788-A2 POLYESTER COMPOSITIONS CONTAINING POLAR CHAIN TERMINATORS EASTMAN CHEMICAL COMPANY (US) 2003-01-22 EP claimed
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US claimed
WO-2001079326-A2 POLYESTER COMPOSITIONS CONTAINING POLAR CHAIN TERMINATORS EASTMAN CHEMICAL COMPANY (US) 2001-10-25 WO claimed
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
EP-1276788-A2 POLYESTER COMPOSITIONS CONTAINING POLAR CHAIN TERMINATORS EASTMAN CHEMICAL COMPANY (US) 2003-01-22 EP disclosed
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US disclosed
WO-2001079326-A2 POLYESTER COMPOSITIONS CONTAINING POLAR CHAIN TERMINATORS EASTMAN CHEMICAL COMPANY (US) 2001-10-25 WO disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed
US-5644017-A SOLVENT RESISTANCE, FLAME RESISTANCE, MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1997-07-01 US disclosed