SCHEMBL4624310

SCHEMBL4624310

CCCCCCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)O)cccc1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
PPARA Q07869 2/20 0.39
TBXA2R P21731 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.38
PPARG P37231 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL7251327 1.00 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL2418203 1.00 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL5364984 0.99 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL7791089 0.99 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL7791228 0.99 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL3932742 0.99 SLC2A1 (0.41) SLC2A1PPARATBXA2RTHRATHRB
SCHEMBL28618593 0.96 SLC2A1 (0.43) SLC2A1PPARATHRATHRBRECQL
SCHEMBL7867480 0.96 SLC2A1 (0.43) SLC2A1PPARATHRATHRBRECQL
SCHEMBL6311382 0.94 SLC2A1 (0.44) SLC2A1PPARATHRATHRBRECQL
SCHEMBL9465753 0.94 SLC2A1 (0.44) 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
CN-104263569-A Anti-inflammatory homalocladium platycladium soap and preparation method thereof LI ZHENGMEI 2015-01-07 CN disclosed
EP-1412438-B1 INK JET INK COMPOSITIONS CONTAINING FLUOROCHEMICAL SURFACTANTS 3M INNOVATIVE PROPERTIES CO (US) 2008-05-28 EP disclosed
EP-1412438-A1 INK JET INK COMPOSITIONS CONTAINING FLUOROCHEMICAL SURFACTANTS 3M Innovative Properties Company (US) 2004-04-28 EP disclosed
US-20030083396-A1 Ink jet ink compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 US disclosed
WO-2003010249-A1 INK JET INK COMPOSITIONS CONTAINING FLUOROCHEMICAL SURFACTANTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-02-06 WO disclosed