SCHEMBL7288944

SCHEMBL7288944

CCOC(OCC)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ GPBAR1 Q8TDU6 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ SHBG P04278 1/20 0.57
▸ SERPINA6 P08185 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ GABRP O00591 2/20 0.52
▸ GABRD O14764 2/20 0.52
▸ G6PD P11413 2/20 0.52
▸ GABRA1 P14867 2/20 0.52
▸ GABRB1 P18505 2/20 0.52
▸ GABRG2 P18507 2/20 0.52
▸ GABRB3 P28472 2/20 0.52
▸ GABRA5 P31644 2/20 0.52
▸ GABRA3 P34903 2/20 0.52
▸ GABRA2 P47869 2/20 0.52

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
SCHEMBL22675087 0.84 LMNA (0.64) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL23265362 0.84 LMNA (0.64) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL8499073 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL15426615 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25854513 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL6812901 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL7376650 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL6812905 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL6816494 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL19750469 0.80 LMNA (0.69) LMNAGPBAR1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825197-B1 New 6-hydroxy and 6-oxo-androstane derivatives active on the cardiovascular system and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 2000-10-04 — — EP disclosed
US-5914324-A HYPOTENSIVE AGENTS, TREATMENT OF CARDIAC FAILURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-06-22 — — US disclosed
EP-0825197-A2 New 6-hydroxy and 6-oxo-anstro-stane derivatives active on the cardiovascular system and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1998-02-25 — — EP disclosed
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