SCHEMBL11646243

SCHEMBL11646243

CCOC(=O)OC(=O)C[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ USP2 O75604 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ GPBAR1 Q8TDU6 8/20 0.64
▸ SLC10A2 Q12908 2/20 0.64
▸ NR1H4 Q96RI1 2/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ PDE3A Q14432 1/20 0.64
▸ CA1 P00915 6/20 0.55
▸ CA2 P00918 6/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ CYP2C9 P11712 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ VDR P11473 1/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL17090568 0.86 MAPT (0.69) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL22699678 0.85 MAPT (0.83) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL4971166 0.85 MAPT (0.83) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL19705475 0.84 GPBAR1 (0.67) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL20012396 0.84 GPBAR1 (0.67) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL20008828 0.84 GPBAR1 (0.67) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL1656466 0.84 GPBAR1 (0.81) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL15145513 0.84 GPBAR1 (0.81) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL20012664 0.83 MAPT (0.62) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL20008824 0.83 MAPT (0.62) MAPTMEN1KMT2AUSP2LMNA

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
US-4104285-A OF NORCHOLANIC ACID, BISNORCHOLANIC ACID, OR ETIOCHOLANIC ACID, STEROIDS, BILE FLOW STIMULATORS, ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — US claimed
US-4104285-A OF NORCHOLANIC ACID, BISNORCHOLANIC ACID, OR ETIOCHOLANIC ACID, STEROIDS, BILE FLOW STIMULATORS, ANTILIPEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — US disclosed
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