SCHEMBL8723162

SCHEMBL8723162

CCCCCCCCc1ccccc1OCCCCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LIPG Q9Y5X9 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
CNR1 P21554 1/20 0.47

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
SCHEMBL17911330 1.00 LTB4R (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL11848031 1.00 LTB4R (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL3032434 0.98 LTB4R (0.52) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL11856035 0.94 LTB4R (0.50) LTB4RLTB4R2THRATHRBMEN1
SCHEMBL9221890 0.92 THRA (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL1536977 0.92 THRA (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL1017777 0.92 THRA (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL11349780 0.92 THRA (0.54) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL6547809 0.92 LTB4R (0.57) LTB4RLTB4R2THRATHRBLIPG
SCHEMBL11043183 0.92 LTB4R (0.57) LTB4RLTB4R2THRATHRBLIPG

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-5833756-A EXTRACTING POLLUTANT USING MICROEMULSION COMPRISING WATER, AN APOLAR HYDROPHOBIC SOLVENT, AND A SURFACTANT, SEPARATING CLEANED SOLID MATERIAL, SEPARATING POLLUTANT-CONTAINING EMULSION INTO SURFACTANT-RICH AND POLLUTANT-CONTAINING PHASES FORSCHUNGSZENTRUM JULICH GMBH (DE) 1998-11-10 US claimed