SCHEMBL10644162

SCHEMBL10644162

C#CCOc1ccccc1CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAOB P27338 2/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
PRKCD Q05655 1/20 0.39
PAK1 Q13153 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
HTR2A P28223 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6681802 0.80 L3MBTL1 (0.56) MAPTTHRATHRBALOX5PTGS2
SCHEMBL919038 0.80 CYP1A2 (0.58) MAPTTHRATHRBALOX5PTGS2
SCHEMBL73826 0.79 CYP1A2 (0.52) MAPTTHRATHRBALOX5PTGS2
SCHEMBL31108994 0.77 THRA (0.48) THRATHRBALOX5PTGS2LTB4R
SCHEMBL11341195 0.77 LTB4R (0.53) MAPTTHRATHRBALOX5PTGS2
SCHEMBL16934158 0.77 LTB4R (0.53) MAPTTHRATHRBALOX5PTGS2
SCHEMBL9814811 0.77 THRA (0.48) THRATHRBALOX5PTGS2LTB4R
SCHEMBL11749257 0.77 THRA (0.44) MAPTTHRATHRBALOX5PTGS2
SCHEMBL16933732 0.77 LTB4R (0.53) MAPTTHRATHRBALOX5PTGS2
SCHEMBL36193 0.76 THRA (0.49) THRATHRBALOX5PTGS2CYP1A2

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
WO-1988009782-A1 PROCESS FOR MAKING PROPARGYL ETHERS OF HYDROXYAROMATIC COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1988-12-15 WO disclosed
EP-0293768-A1 Process for making propargyl ethers of hydroxyaromatic compounds THE DOW CHEMICAL COMPANY (US) 1988-12-07 EP disclosed