SCHEMBL14399285

SCHEMBL14399285

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ NT5E P21589 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TOP2A P11388 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ PTGES O14684 1/20 0.51
▸ SLC10A1 Q14973 1/20 0.47
▸ GPBAR1 Q8TDU6 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ F3 P13726 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ GLI1 P08151 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL14400884 1.00 LMNA (0.54) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL14400890 0.88 NOS2 (0.42) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL7747717 0.87 LMNA (0.58) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL10081999 0.87 PTPN1 (0.52) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL6715660 0.87 LMNA (0.58) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL14374330 0.86 LMNA (0.57) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL5447022 0.86 LMNA (0.57) LMNANT5EUSP2HIF1ATOP2A
SCHEMBL5448684 0.86 CA9 (0.44) LMNANT5EPTGESSLC10A1GPBAR1
SCHEMBL14398790 0.86 GPBAR1 (0.64) LMNANT5EUSP2HIF1APTPN1
SCHEMBL5442215 0.86 GPBAR1 (0.64) 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-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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