SCHEMBL3000358

SCHEMBL3000358

CO[C@@]12CCC(O)[C@@](C)(CC[C@@H]3[C@@H]1CC3(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL24176299 0.77 ALDH1A1 (0.53) CYP3A4ALDH1A1
SCHEMBL29801778 0.77 ALDH1A1 (0.53) CYP3A4ALDH1A1
SCHEMBL15944367 0.77 ALDH1A1 (0.53) CYP3A4ALDH1A1
2Beta-Methoxyclovan-9Alpha-Ol SCHEMBL24176294 0.62 CYP3A4 (0.56) CYP3A4MEN1POLBKMT2A
2Beta-Methoxyclovan-9Alpha-Ol SCHEMBL4209224 0.62 CYP3A4 (0.56) CYP3A4MEN1POLBKMT2A
SCHEMBL22417663 0.62 CYP3A4 (0.57) CYP3A4ALDH1A1
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176170 0.61 CYP3A4 (1.00) CYP3A4ALDH1A1MEN1KMT2A
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176356 0.61 CYP3A4 (1.00) CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL30105524 0.61 F10 (0.41) CYP3A4ALDH1A1MEN1POLBKMT2A
SCHEMBL4274557 0.60 CYP3A4 (0.57) CYP3A4ALDH1A1

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-20150110862-A1 Sweet Gum Fruit Extract as a Therapeutic Agent BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2015-04-23 US disclosed
US-20100189830-A1 Sweet Gum Fruit Extract as a Therapeutic Agent BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-07-29 US disclosed
WO-2008144706-A2 SWEET GUM FRUIT EXTRACT AS A THERAPEUTIC AGENT BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2008-11-27 WO disclosed