SCHEMBL2198033

SCHEMBL2198033

C/C1=C\CC[C@H](C)/C=C/[C@](O)(C(C)C)C[C@@H](O)/C(C)=C/C[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.35
HSD11B1 P28845 3/20 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
SCHEMBL2197973 1.00 PTAFR (0.35) PTAFRHSD11B1
SCHEMBL2196499 1.00 PTAFR (0.35) PTAFRHSD11B1
SCHEMBL9492727 0.88 MET (0.41) PTAFRHSD11B1
SCHEMBL20561597 0.88 MET (0.41) PTAFRHSD11B1
SCHEMBL944964 0.88 MET (0.41) PTAFRHSD11B1
SCHEMBL945693 0.88 MET (0.41) PTAFRHSD11B1
SCHEMBL20561706 0.88 MET (0.41) PTAFRHSD11B1
SCHEMBL3308495 0.84 TAS2R31 (0.34)
SCHEMBL20561653 0.81 MET (0.35)
SCHEMBL2193918 0.81 MET (0.35)

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
US-7977384-B1 Anticancer tobacco cembranoids THE UNIVERSITY OF LOUISIANA AT MONROE (US) 2011-07-12 US claimed
US-7977384-B1 Anticancer tobacco cembranoids THE UNIVERSITY OF LOUISIANA AT MONROE (US) 2011-07-12 US disclosed