SCHEMBL14399284

SCHEMBL14399284

CCOC(OCC)C1=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 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 2/20 0.41
▸ TDP1 Q9NUW8 7/20 0.39
▸ LMNA P02545 2/20 0.38
▸ NT5E P21589 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ F3 P13726 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL14374314 0.90 SLC10A1 (0.52) SLC10A1TDP1LMNANT5EPTPN1
SCHEMBL5448795 0.90 SLC10A1 (0.52) SLC10A1TDP1LMNANT5EPTPN1
SCHEMBL14397740 0.89 LMNA (0.52) SLC10A1LMNANT5EPTPN1USP2
SCHEMBL14399286 0.89 LMNA (0.52) SLC10A1LMNANT5EPTPN1USP2
SCHEMBL14374312 0.89 LMNA (0.52) SLC10A1LMNANT5EPTPN1USP2
SCHEMBL5455365 0.89 LMNA (0.52) SLC10A1LMNANT5EPTPN1USP2
SCHEMBL14374309 0.84 SLC10A1 (0.51) SLC10A1TDP1LMNANT5EPTPN1
SCHEMBL5480787 0.84 SLC10A1 (0.51) SLC10A1TDP1LMNANT5EPTPN1
SCHEMBL14398324 0.83 TDP1 (0.40) SLC10A1TDP1LMNANT5EPTPN1
SCHEMBL14398322 0.82 SLC10A1 (0.41) SLC10A1TDP1LMNANT5EPTPN1

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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