SCHEMBL4595834

SCHEMBL4595834

CCCc1ccc(O)c(C(CCC)c2cc(CCC)ccc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
ALOX5 P09917 2/20 0.45
MCL1 Q07820 1/20 0.44
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL4595264 0.87 TRPA1 (0.53) CNR1CNR2ALOX5CYP2D6ALOX15
SCHEMBL31545321 0.86 CNR1 (0.52) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL51014 0.81 CNR1 (0.60) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL21295932 0.81 CNR1 (0.60) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL1860686 0.81 CNR1 (0.60) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL29079408 0.80 CNR1 (0.58) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL918000 0.80 CNR1 (0.58) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL4596473 0.79 ALOX15 (0.49) ALOX5CYP2D6ALOX15TP53CYP2C9
SCHEMBL50806 0.78 CNR1 (0.51) CNR1CNR2ALOX5MCL1CYP2D6
SCHEMBL51005 0.78 CHRM1 (0.51) CYP2D6ALOX15TP53CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed