SCHEMBL8885745

SCHEMBL8885745

CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SULT1E1 P49888 1/20 0.48
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4451477 0.84 SULT1E1 (0.59) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL30525934 0.65 ALDH1A1 (0.47) SULT1E1ALDH1A1MAPTUSP2CYP3A4
SCHEMBL13446722 0.65 SULT1E1 (1.00) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL4460072 0.59 ALDH1A1 (0.61) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL29768747 0.57 SULT1E1 (0.52) SULT1E1ALDH1A1MAPTUSP2CYP3A4
Fraxinellonone SCHEMBL29065291 0.57 GAA (0.70) SULT1E1GAATSHRALDH1A1MAPT
SCHEMBL8670495 0.57 ALOX5 (0.43) SULT1E1ALDH1A1MAPT
SCHEMBL2008986 0.54 — —
SCHEMBL27740196 0.53 GPR52 (0.46) ALDH1A1HSD17B10
Fraxinellone SCHEMBL17503654 0.53 GAA (1.00) SULT1E1GAATSHRALDH1A1MAPT

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
WO-1997045099-A1 USE OF LABDANUM FURANOID DITERPENOIDS FOR PREPARING COSMETIC OR PHARMACEUTICAL AND SKIN CELL CULTURE MEDIA COMPOSITIONS LVMH RECHERCHE (FR) 1997-12-04 — — WO claimed
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