SCHEMBL13301931

SCHEMBL13301931

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=N)C(C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.61
▸ LMNA P02545 2/20 0.59
▸ NT5E P21589 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TOP2A P11388 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ SLC10A1 Q14973 2/20 0.55
▸ CA9 Q16790 3/20 0.51
▸ GPBAR1 Q8TDU6 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ F3 P13726 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL13301992 0.94 SLC10A1 (0.64) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293259 0.91 PTGES (0.62) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13301993 0.89 SLC10A1 (0.70) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293135 0.87 GPBAR1 (0.63) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13301947 0.87 GPBAR1 (0.48) PTGESLMNANT5ESLC10A1CA9
SCHEMBL13301907 0.87 GPBAR1 (0.48) PTGESLMNANT5ESLC10A1CA9
SCHEMBL13293196 0.86 SLC10A1 (0.60) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293224 0.85 SLC10A1 (0.60) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13293199 0.84 SLC10A1 (0.58) PTGESLMNANT5EUSP2HIF1A
SCHEMBL13301976 0.83 SLC10A1 (0.57) LMNANT5EUSP2HIF1APTPN1

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-2010068668-A1 23-SUBSTITUTED DERIVATIVES OF LUPANE-TYPE PENTACYCLIC TRITERPENOIDS ADVANCED LIFE SCIENCES, INC. (US) 2010-06-17 — — WO disclosed
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