SCHEMBL14399283

SCHEMBL14399283

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 2/20 0.40
▸ TOP2A P11388 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NT5E P21589 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ PTGES O14684 1/20 0.37
▸ TOP2B Q02880 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ F3 P13726 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ GLI1 P08151 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
SCHEMBL14398322 0.89 SLC10A1 (0.41) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14374307 0.88 SLC10A1 (0.55) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL5446572 0.88 SLC10A1 (0.55) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14397737 0.87 LMNA (0.56) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL5444835 0.87 LMNA (0.56) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14374306 0.87 LMNA (0.56) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14398324 0.85 TDP1 (0.40) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14399284 0.82 SLC10A1 (0.41) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL14374330 0.76 LMNA (0.57) SLC10A1TOP2ALMNANT5EPTPN1
SCHEMBL5447022 0.76 LMNA (0.57) SLC10A1TOP2ALMNANT5EPTPN1

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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