SCHEMBL7747717

SCHEMBL7747717

C=C(C)[C@@H]1CCC2(CO)CC[C@@]3(C)C(CCC4[C@@]5(C)C=C(O)C(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ NT5E P21589 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ TOP2A P11388 1/20 0.58
▸ PTPN1 P18031 1/20 0.58
▸ PTGES O14684 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ F3 P13726 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ CA9 Q16790 3/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ GLI1 P08151 1/20 0.42

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
SCHEMBL6715660 1.00 LMNA (0.58) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374330 0.90 LMNA (0.57) LMNANT5ERELAUSP2HIF1A
SCHEMBL5447022 0.90 LMNA (0.57) LMNANT5ERELAUSP2HIF1A
SCHEMBL5444835 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374306 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14397737 0.89 LMNA (0.56) LMNANT5ERELAUSP2HIF1A
SCHEMBL14374327 0.88 LMNA (0.55) LMNANT5ERELAUSP2HIF1A
SCHEMBL5439801 0.88 LMNA (0.55) LMNANT5ERELAUSP2HIF1A
SCHEMBL14399285 0.87 LMNA (0.54) LMNANT5ERELAUSP2HIF1A
SCHEMBL14400884 0.87 LMNA (0.54) LMNANT5ERELAUSP2HIF1A

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
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 — — US disclosed
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