SCHEMBL14399282

SCHEMBL14399282

C=C(C)[C@@H]1CC[C@]2(COC(=O)CC)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ SLC10A1 Q14973 1/20 0.64
▸ PTGES O14684 1/20 0.59
▸ PTPN1 P18031 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TOP2A P11388 1/20 0.59
▸ NT5E P21589 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ PRKCD Q05655 1/20 0.59
▸ CETP P11597 1/20 0.57
▸ PRKCG P05129 1/20 0.57

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
SCHEMBL13855629 0.93 CA9 (0.71) CA9CA1CA2SLC10A1PTGES
SCHEMBL208561 0.90 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL2733995 0.90 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL2734063 0.90 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL18711154 0.88 CA9 (0.64) CA9CA1CA2SLC10A1PTGES
SCHEMBL14399281 0.88 CA9 (0.66) CA9CA1CA2SLC10A1PTGES
SCHEMBL14374404 0.87 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL14397738 0.87 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL14374252 0.87 CA9 (0.68) CA9CA1CA2SLC10A1PTGES
SCHEMBL12325848 0.87 NT5E (0.77) CA9CA1CA2SLC10A1PTGES

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
WO-2007112043-A2 SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN ADVANCED LIFE SCIENCES INC. (US) 2007-10-04 — — WO disclosed
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