SCHEMBL10349367

SCHEMBL10349367

CCCCc1ccccc1OP(=S)([S-])Oc1ccccc1CCCC.CCCCc1ccccc1OP(=S)([S-])Oc1ccccc1CCCC.[Ba+2]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2381907 0.97 THRA (0.47) THRATHRBALOX5PTGS2PPARA
SCHEMBL486862 0.95 THRA (0.46) THRATHRBALOX5PTGS2PPARA
SCHEMBL2380344 0.94 THRA (0.48) THRATHRBALOX5PTGS2PPARA
SCHEMBL8666153 0.94 THRA (0.48) THRATHRBALOX5PTGS2PPARA
SCHEMBL4019156 0.94 THRA (0.55) THRATHRBALOX5PTGS2PPARA
SCHEMBL486998 0.92 THRA (0.47) THRATHRBALOX5PTGS2PPARA
SCHEMBL2379852 0.91 THRA (0.55) THRATHRBALOX5PTGS2PPARA
Zinc Ion SCHEMBL162803 0.91 THRA (0.55) THRATHRBALOX5PTGS2PPARA
Zinc Ion SCHEMBL159097 0.91 THRA (0.55) THRATHRBALOX5PTGS2PPARA
Zinc Ion SCHEMBL8037336 0.91 THRA (0.55) THRATHRBALOX5PTGS2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285608-B1 WATER-IN-OIL EMULSIONS The Lubrizol Corporation (US) 1990-08-01 EP disclosed
EP-0364511-A1 WATER-IN-OIL EMULSIONS The Lubrizol Corporation (US) 1990-04-25 EP disclosed
US-4846985-A HYDROXYSULFIDE OR SECONDARY AMINE COMPOUND THE LUBRIZOL CORPORATION (US) 1989-07-11 US disclosed
US-4844756-A SALT DERIVED FROM HYDROCARBYL-SUBSTITUTED CARBOXYLIC ACID OR ANHYDRIDE OR DERIVATIVE, AND AMMONIA, AN AMINE, OR ALKALI OR ALKALINE EARTH METAL THE LUBRIZOL CORPORATION (US) 1989-07-04 US disclosed
WO-1989005848-A1 WATER-IN-OIL EMULSIONS THE LUBRIZOL CORPORATION (US) 1989-06-29 WO disclosed
EP-0285608-A1 WATER-IN-OIL EMULSIONS. LUBRIZOL CORP (US) 1988-10-12 EP disclosed
US-4708753-A NITROGEN CONTAINING SALT EMULSIFIERS; HYDRAULIC FLUIDS, EXPLOSIVES, ACIDIZING FLUIDS THE LUBRIZOL CORPORATION (US) 1987-11-24 US disclosed
WO-1987003613-A2 WATER-IN-OIL EMULSIONS THE LUBRIZOL CORPORATION (US) 1987-06-18 WO disclosed