SCHEMBL11882012

SCHEMBL11882012

COc1c(O)ccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
CA1 P00915 3/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA2 P00918 2/20 0.43

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
SCHEMBL29403778 0.85 TDP1 (0.52) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL69925 0.85 TDP1 (0.52) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL1053291 0.82 TP53 (0.43) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL70595 0.82 MAPT (0.57) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL5349727 0.82 CYP3A4 (0.54) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL9006932 0.82 TDP1 (0.41) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL11750586 0.82 MAOA (0.43) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL25170487 0.80 TDP1 (0.39) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL11760316 0.80 ALDH1A1 (0.48) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL28445583 0.80 MAPT (0.41) MAPTTP53CYP3A4KDM4EALDH1A1

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
CN-117305210-A Method for producing tanshinol 杭州唯铂莱生物科技有限公司 2023-12-29 CN disclosed
US-3987109-A POLYMERIZATION OF POLYFUNCTIONAL PHENOLS UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-10-19 US disclosed