SCHEMBL14344644

SCHEMBL14344644

CC1(C)C2CC[C@]3(C)C(CCC4C5CCC[C@]5(COC5CCCCO5)CC[C@]43C)[C@@]2(C)CC[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.46
▸ PTPN1 P18031 9/20 0.46
▸ TOP2A P11388 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ GPBAR1 Q8TDU6 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ USP7 Q93009 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
SCHEMBL14400877 0.85 PTPN1 (0.51) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL14374284 0.84 SLC10A1 (0.67) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL5446858 0.84 SLC10A1 (0.67) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL13098042 0.84 PTPN1 (0.68) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL13293181 0.84 PTPN1 (0.68) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL5448725 0.84 PTPN1 (0.68) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL5444232 0.82 SLC10A1 (0.38) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL24483940 0.80 SLC10A1 (0.65) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL14344559 0.80 SLC10A1 (0.65) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL13165682 0.80 SLC10A1 (0.65) SLC10A1PTPN1TOP2AUSP2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
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