SCHEMBL8734676

SCHEMBL8734676

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8734680 1.00 MAPT (0.34) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL8733677 0.79 MAPT (0.44) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL8733674 0.79 MAPT (0.44) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL8731630 0.76 DHODH (0.44) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL8731628 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL9549996 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL18089046 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL541382 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL15220009 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4
SCHEMBL25669585 0.69 ALDH1A1 (0.57) MAPTPOLBMEN1ALDH1A1CYP3A4

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