SCHEMBL8352245

SCHEMBL8352245

CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
MGLL Q99685 1/20 0.43
PPARA Q07869 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
PRKCD Q05655 1/20 0.42
PAK1 Q13153 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL18339279 1.00 THRA (0.47) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL7739696 0.99 THRA (0.46) THRATHRBLTB4RLTB4R2MGLL
Sulfuric Acid SCHEMBL11075749 0.92 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL2127883 0.90 THRA (0.51) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL2126464 0.88 LTB4R (0.52) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL10413179 0.88 THRA (0.50) THRATHRBLTB4RLTB4R2MGLL
SCHEMBL10872225 0.87 THRA (0.51) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL11219747 0.87 THRA (0.51) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL11221109 0.87 THRA (0.51) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL9420252 0.87 THRA (0.51) THRATHRBLTB4RLTB4R2PPARA

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-5994029-A MONODISPERSED PARTICLES AGFA-GEVAERT AG (DE) 1999-11-30 US disclosed