SCHEMBL8733664

SCHEMBL8733664

C=C/C(C)=C/C[C@@H]1[C@@]2(C)CCCC(C)(CO)[C@@H]2C(O)C[C@@]1(C)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTL Q8NG68 11/20 0.51
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 2/20 0.31
ACHE P22303 1/20 0.31
HSD11B1 P28845 2/20 0.31
NR1H3 Q13133 1/20 0.31
HSD11B2 P80365 1/20 0.31
CDC25A P30304 2/20 0.30
CDC25B P30305 2/20 0.30

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
SCHEMBL8733662 1.00 TTL (0.51) TTLPOLBMAPTBCHEACHE
SCHEMBL8733660 0.86 TTL (0.39) TTLPOLBMAPT
Andalusol SCHEMBL3669300 0.80 TTL (0.52) TTLMAPTBCHEACHEHSD11B1
SCHEMBL8733677 0.78 MAPT (0.44) TTLPOLBMAPTBCHEACHE
SCHEMBL8733674 0.78 MAPT (0.44) TTLPOLBMAPTBCHEACHE
SCHEMBL8731622 0.69 MAPT (0.40) POLBMAPT
SCHEMBL29551597 0.69 MAPT (0.40) POLBMAPT
SCHEMBL29922526 0.69 MAPT (0.40) POLBMAPT
SCHEMBL8731628 0.69 ALDH1A1 (0.57) POLBMAPT
SCHEMBL15220009 0.69 ALDH1A1 (0.57) POLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773005-A ENZYME INHIBITORS, ANTISECRETORY AGENTS AND ANTIANDROGENS KABUSHIKI KAISHA YAKURIGAKU CHUO KENKYUSHO (JP) 1998-06-30 US claimed
US-5773005-A ENZYME INHIBITORS, ANTISECRETORY AGENTS AND ANTIANDROGENS KABUSHIKI KAISHA YAKURIGAKU CHUO KENKYUSHO (JP) 1998-06-30 US disclosed
EP-0747048-A2 Diterpenes and flavonoids as 5-alpha-reductase inhibitors Kabushiki Kaisha Yakurigaku Chuo Kenkyusho (JP) 1996-12-11 EP disclosed