SCHEMBL14626464

SCHEMBL14626464

C=CCc1cc(C(c2ccc(OC(C)OC)c(CC=C)c2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.40
GABRB2 P47870 10/20 0.40
ALOX5 P09917 3/20 0.39
CNR2 P34972 3/20 0.39
TRPM8 Q7Z2W7 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
PTGS1 P23219 1/20 0.36
PTPN1 P18031 3/20 0.35
CNR1 P21554 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GABRB1 P18505 1/20 0.34
RXRA P19793 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL1055347 0.83 GABRA1 (0.56) GABRA1GABRB2ALOX5CNR2POLB
SCHEMBL29414940 0.83 GABRA1 (0.56) GABRA1GABRB2ALOX5CNR2POLB
SCHEMBL29463283 0.83 GABRA1 (0.56) GABRA1GABRB2ALOX5CNR2POLB
SCHEMBL14626465 0.80 GABRA1 (0.48) GABRA1GABRB2ALOX5CNR2TRPM8
SCHEMBL14626463 0.79 GABRA1 (0.38) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL2300766 0.78 ESR1 (0.53) GABRA1GABRB2ALOX5CNR2POLB
2-Allylphenol SCHEMBL22207670 0.76 GABRA1 (0.49) GABRA1GABRB2ALOX5CNR2POLB
SCHEMBL16255461 0.74 PTGDR (0.41) GABRA1GABRB2CNR2ALDH1A1CNR1
SCHEMBL8417779 0.73 GABRA1 (0.51) GABRA1GABRB2ALOX5CNR2TRPM8
SCHEMBL21192545 0.73 ALOX5 (0.32) GABRA1GABRB2ALOX5CNR2AR

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-7163986-B2 Siloxane copolymer, making method, and thermosetting resin composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-01-16 US disclosed