SCHEMBL7791228

SCHEMBL7791228

CCCCCCc1c(Oc2ccccc2S(=O)(=O)O)cccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
PPARA Q07869 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TBXA2R P21731 2/20 0.39
RECQL P46063 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL3932742 1.00 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL7791089 1.00 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL5364984 1.00 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL2418203 0.99 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL4624310 0.99 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL7251327 0.99 SLC2A1 (0.41) SLC2A1PPARATHRATHRBTBXA2R
SCHEMBL8762454 0.96 SLC2A1 (0.44) SLC2A1PPARATHRATHRBRECQL
SCHEMBL9465753 0.96 SLC2A1 (0.44) SLC2A1PPARATHRATHRBRECQL
SCHEMBL6311382 0.96 SLC2A1 (0.44) SLC2A1PPARATHRATHRBRECQL
SCHEMBL7867480 0.94 SLC2A1 (0.43) SLC2A1PPARATHRATHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941292-B1 PIGMENTED INKS AND HUMECTANTS USED THEREWITH MINNESOTA MINING & MFG (US) 2001-11-28 EP disclosed
US-6022403-A COMBINATIONS OF A SULFONATED POLYETHYLENE OXIDE HUMECTANT AND AN ALKYL(SULFOPHENOXY)BENZENESULFONIC ACID (SALT) DISPERSANT 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-02-08 US disclosed
EP-0941292-A1 PIGMENTED INKS AND HUMECTANTS USED THEREWITH MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-15 EP disclosed
WO-1998023694-A1 PIGMENTED INKS AND HUMECTANTS USED THEREWITH MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-06-04 WO disclosed
US-5725647-A Pigmented inks and humectants used therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US disclosed