SCHEMBL9775776

SCHEMBL9775776

CCCCCCCCCCCCOS(=O)(=O)Oc1ccccc1CCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PPARA Q07869 2/20 0.44
LIPG Q9Y5X9 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Ether SCHEMBL9775773 0.95 THRA (0.45) THRATHRBPPARALIPGLTB4R
SCHEMBL4828617 0.90 THRA (0.50) THRATHRBPPARALIPGLTB4R
SCHEMBL8399836 0.90 THRA (0.50) THRATHRBPPARALIPGLTB4R
SCHEMBL6838738 0.90 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL11654900 0.90 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL8990627 0.90 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL8990370 0.90 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL29617961 0.88 THRA (0.54) THRATHRBPPARALIPGALOX5
SCHEMBL11791849 0.88 THRA (0.52) THRATHRBPPARALIPGALOX5
SCHEMBL7851049 0.82 THRA (0.48) THRATHRBPPARALIPGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5024676-A Containing anionic and nonionic surfactants in specified ratio KAO CORPORATION (JP) 1991-06-18 US disclosed