SCHEMBL14398324

SCHEMBL14398324

COC1=C[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.40
▸ SLC10A1 Q14973 3/20 0.39
▸ TOP2A P11388 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NT5E P21589 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ TOP2B Q02880 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL5439801 0.87 LMNA (0.55) SLC10A1TOP2ALMNANT5EUSP2
SCHEMBL14374327 0.87 LMNA (0.55) SLC10A1TOP2ALMNANT5EUSP2
SCHEMBL14398322 0.86 SLC10A1 (0.41) TDP1SLC10A1TOP2ALMNANT5E
SCHEMBL14399283 0.85 SLC10A1 (0.40) TDP1SLC10A1TOP2ALMNANT5E
SCHEMBL14399284 0.83 SLC10A1 (0.41) TDP1SLC10A1TOP2ALMNANT5E
SCHEMBL14374416 0.80 LMNA (0.47) SLC10A1TOP2ALMNANT5EUSP2
SCHEMBL6715660 0.74 LMNA (0.58) SLC10A1TOP2ALMNANT5EUSP2
SCHEMBL7747717 0.74 LMNA (0.58) SLC10A1TOP2ALMNANT5EUSP2
SCHEMBL14374307 0.74 SLC10A1 (0.55) TDP1SLC10A1TOP2ALMNANT5E
SCHEMBL14374330 0.74 LMNA (0.57) SLC10A1TOP2ALMNANT5EUSP2

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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