SCHEMBL1345562

SCHEMBL1345562

CCCc1ccc(O)c(C(C)c2cc(CCC)cc(C(C)c3cc(CCC)cc(C(C)c4cc(CCC)ccc4O)c3O)c2O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
CNR2 P34972 1/20 0.53
ALOX5 P09917 3/20 0.43
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2D6 P10635 2/20 0.39
DRD2 P14416 2/20 0.39
NFKB1 P19838 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PMP22 Q01453 2/20 0.38

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
SCHEMBL1344744 1.00 CNR1 (0.53) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1345947 1.00 CNR1 (0.53) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1345502 1.00 CNR1 (0.53) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL51014 0.93 CNR1 (0.60) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1345250 0.83 TRPA1 (0.52) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL51630 0.83 NPC1 (0.52) CNR1CNR2CYP3A4HIF1AHSD17B10
SCHEMBL1345490 0.83 TRPA1 (0.52) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1345055 0.83 TRPA1 (0.52) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1345528 0.83 TRPA1 (0.52) CNR1CNR2ALOX5CYP3A4HIF1A
SCHEMBL1860686 0.82 CNR1 (0.60) CNR1CNR2ALOX5CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724119-B1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS MITSUBISHI CHEM CORP (JP) 2014-11-19 EP disclosed
US-8062993-B2 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2011-11-22 US disclosed
US-20070173407-A1 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2007-07-26 US disclosed
EP-1724119-A1 DEVELOPER MIXTURE FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2006-11-22 EP disclosed