SCHEMBL8000681

SCHEMBL8000681

CCCCCCCCCc1ccccc1OC(C)OC(C)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PPARA Q07869 2/20 0.41
LIPG Q9Y5X9 1/20 0.40
PPARG P37231 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
SMPD1 P17405 3/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38

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
SCHEMBL9219522 1.00 THRA (0.46) THRATHRBPPARALIPGPPARG
Ammonia Solution, Strong SCHEMBL9069565 0.99 THRA (0.45) THRATHRBPPARALIPGPPARG
SCHEMBL18141738 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18139892 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18141149 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18141108 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18140799 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18141112 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18141256 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL18140577 0.94 THRA (0.49) THRATHRBPPARALIPGPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485431-A Treating agent for synthetic fiber, and method for treating synthetic fiber 竹本油脂株式会社 2022-12-16 CN disclosed
US-6143038-A STRAIGHT-CHAIN POLYETHER MODIFIED POLYORGANOSILOXANE OF A SPECIFIED KIND AND AN IONIC SURFACTANT AT SPECIFIED RATIOS ARE APPLIED AT A SPECIFIED RATE TO SYNTHETIC FIBERS SUBJECTED TO A HEAT TREATMENT SUCH AS FALSE TWISTING TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed