SCHEMBL17599790

SCHEMBL17599790

CCCCCCCCc1ccccc1OS(=O)(=O)CCOCC

nearest known ligand 0.46

Predicted protein targets (top 17)

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
MGLL Q99685 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL9647422 0.88 THRA (0.51) THRATHRBPPARALIPGPPARG
SCHEMBL3692479 0.88 THRA (0.51) THRATHRBPPARALIPGPPARG
SCHEMBL31310900 0.87 THRA (0.44) THRATHRBPPARALIPGPPARG
SCHEMBL10179746 0.86 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL10180566 0.83 THRA (0.51) THRATHRBPPARALIPGPPARG
Ether SCHEMBL1712535 0.81 THRA (0.51) THRATHRBPPARALIPGPPARG
Ether SCHEMBL2937392 0.81 THRA (0.51) THRATHRBPPARALIPGPPARG
Ether SCHEMBL515387 0.81 THRA (0.51) THRATHRBPPARALIPGPPARG
SCHEMBL27764197 0.81 THRA (0.50) THRATHRBPPARALIPGPPARG
SCHEMBL27743309 0.81 THRA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599714-B1 MULTI-PHASE FLUID SAMPLING METHOD AND APPARATUS SAUDI ARABIAN OIL CO (SA) 2016-03-23 EP claimed