SCHEMBL7784424

SCHEMBL7784424

CCOC(=O)C=Cc1cc(O)c(O)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.72
CYP3A4 P08684 2/20 0.72
ALOX5 P09917 5/20 0.70
MET P08581 8/20 0.66
TTR P02766 1/20 0.62
DPP4 P27487 1/20 0.62
FDPS P14324 1/20 0.61
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2B6 P20813 1/20 0.58
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL2394280 0.94 ALOX5 (0.78) MAOBCYP3A4ALOX5METFDPS
SCHEMBL5180134 0.94 ALOX5 (0.78) MAOBCYP3A4ALOX5METFDPS
SCHEMBL11213605 0.89 ALOX5 (0.67) MAOBCYP3A4ALOX5METFDPS
SCHEMBL11213603 0.89 ALOX5 (0.67) MAOBCYP3A4ALOX5METFDPS
Hydrochloric Acid SCHEMBL11221454 0.87 ALOX5 (0.65) MAOBCYP3A4ALOX5METFDPS
Hydrochloric Acid SCHEMBL11221446 0.87 ALOX5 (0.65) MAOBCYP3A4ALOX5METFDPS
SCHEMBL8772845 0.85 MAOB (0.68) MAOBALOX5METFDPSPKM
SCHEMBL8772838 0.85 MAOB (0.68) MAOBALOX5METFDPSPKM
SCHEMBL7158939 0.84 EPHX2 (0.69) MAOBCYP3A4ALOX5METTTR
SCHEMBL31247977 0.84 MAOB (0.80) MAOBCYP3A4TTRDPP4FDPS

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-2000058489-A9 PRODUCTION OF SYRINGYL LIGNIN IN GYMNOSPERMS INT PAPER CO (US) 2001-11-29 WO disclosed
WO-2000058489-A2 PRODUCTION OF SYRINGYL LIGNIN IN GYMNOSPERMS INTERNATIONAL PAPER COMPANY (US) 2000-10-05 WO disclosed