SCHEMBL6850499

SCHEMBL6850499

COc1ccc(C2(O)COc3cc(O)c(O)cc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.49
ALOX12 P18054 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
MAPK1 P28482 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
THRB P10828 2/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 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
SCHEMBL966448 0.75 RIPK1 (0.50) SMN1; SMN2HPGDALDH1A1LMNARELA
SCHEMBL501806 0.75 ALDH1A1 (0.41) ALOX15ALOX12SMN1; SMN2CYP3A4HSD17B10
SCHEMBL20790324 0.69 CHRNA1 (0.47) SMN1; SMN2CYP3A4CYP2C19HSD17B10MEN1
SCHEMBL28299186 0.67 OPRM1 (0.58) SMN1; SMN2HSD17B10MEN1ALDH1A1KMT2A
SCHEMBL5046292 0.66 CHRNA1 (0.45) SMN1; SMN2CYP3A4CYP2C19HSD17B10MEN1
SCHEMBL10562731 0.66 ALOX15 (1.00) ALOX15ALOX12CYP1A2KMT2AKDM1A
SCHEMBL29262933 0.64 OPRM1 (0.46) SMN1; SMN2CYP3A4CYP2C19HSD17B10MEN1
SCHEMBL31691364 0.64 CHRNA1 (0.43) SMN1; SMN2CYP3A4CYP2C19HSD17B10MEN1
SCHEMBL10319703 0.64 OPRM1 (0.55) SMN1; SMN2HSD17B10MEN1ALDH1A1KMT2A
SCHEMBL12317609 0.64 OPRM1 (0.55) CYP3A4CYP2C19HSD17B10MEN1ALDH1A1

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
EP-0977578-B1 COMPOSITIONS TO ENHANCE THE CYTOPROTECTIVE EFFECTS OF POLYCYCLIC PHENOLIC COMPOUNDS THROUGH THE SYNERGISTIC INTERACTION WITH ANTI-OXIDANTS UNIV FLORIDA (US) 2004-03-31 EP disclosed