SCHEMBL4405740

SCHEMBL4405740

CCCCCCCCCc1ccccc1OP(=O)(Sc1ccccc1CCCCCCCCC)Sc1ccccc1CCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PPARA Q07869 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
PTGS2 P35354 4/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYSLTR2 Q9NS75 4/20 0.39
CYSLTR1 Q9Y271 4/20 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
SCHEMBL3967989 1.00 THRA (0.48) THRATHRBPPARALIPGPTGS2
SCHEMBL4397512 0.94 THRA (0.41) THRATHRBPPARAPTGS2ALOX5
SCHEMBL284750 0.90 THRA (0.47) THRATHRBPPARALIPGPTGS2
SCHEMBL8600591 0.90 THRA (0.47) THRATHRBPPARALIPGPTGS2
SCHEMBL3477747 0.90 THRA (0.47) THRATHRBPPARALIPGPTGS2
SCHEMBL8375499 0.88 THRA (0.45) THRATHRBPPARALIPGPTGS2
SCHEMBL8011394 0.87 THRA (0.44) THRATHRBPPARALIPGPTGS2
SCHEMBL162802 0.87 THRA (0.44) THRATHRBPPARALIPGPTGS2
SCHEMBL11087732 0.87 THRA (0.44) THRATHRBPPARALIPGPTGS2
SCHEMBL159096 0.87 THRA (0.44) THRATHRBPPARALIPGPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402663-A Molybdenum-containing transmission lubricant 雅富顿化学公司 2024-01-16 CN disclosed
EP-2054491-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINTS Showa Shell Sekiyu Kabushiki Kaisha (JP) 2009-05-06 EP disclosed
EP-1979449-A1 GREASE COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2008-10-15 EP disclosed
US-20080234153-A1 LUBRICATING OIL COMPOSITION NIPPON OIL CORPORATION (JP) 2008-09-25 US disclosed
WO-2007129775-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINTS SHOWA SHELL SEKIYU K.K. (JP) 2007-11-15 WO disclosed
WO-2007085643-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-08-02 WO disclosed