SCHEMBL1344636

SCHEMBL1344636

CCc1ccc(O)c(C(c2ccccc2)c2cc(CC)cc(C(c3ccccc3)c3cc(CC)cc(C(c4ccccc4)c4cc(CC)cc(C(c5ccccc5)c5cc(CC)ccc5O)c4O)c3O)c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
HKDC1 Q2TB90 1/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
ALOX12 P18054 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
IDO1 P14902 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1344545 1.00 TRPA1 (0.44) TRPA1HKDC1MAPTALDH1A1GAA
SCHEMBL1344862 1.00 TRPA1 (0.44) TRPA1HKDC1MAPTALDH1A1GAA
SCHEMBL1345096 1.00 TRPA1 (0.44) TRPA1HKDC1MAPTALDH1A1GAA
SCHEMBL51302 0.94 TRPA1 (0.50) TRPA1HKDC1MAPTALDH1A1GAA
SCHEMBL1345124 0.85 CNR1 (0.46) HKDC1MAPTGAAHTTHSD17B10
SCHEMBL1345123 0.85 CNR1 (0.46) HKDC1MAPTGAAHTTHSD17B10
SCHEMBL1345916 0.85 CNR1 (0.46) HKDC1MAPTGAAHTTHSD17B10
SCHEMBL1345672 0.85 CNR1 (0.46) HKDC1MAPTGAAHTTHSD17B10
SCHEMBL50806 0.81 CNR1 (0.51) HKDC1MAPTGAAHTTHSD17B10
SCHEMBL50781 0.81 TRPA1 (0.50) TRPA1HKDC1MAPTALDH1A1GAA

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