SCHEMBL7144061

SCHEMBL7144061

CC(C)(C)O[C@H]1CCC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.42
▸ HTT P42858 1/20 0.33

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
SCHEMBL13317673 0.74 CYP19A1 (0.43) CYP19A1
SCHEMBL13298446 0.69 CYP19A1 (0.39) CYP19A1
SCHEMBL11741928 0.69 — —
SCHEMBL2548227 0.69 — —
SCHEMBL16842417 0.69 — —
SCHEMBL27694874 0.67 CYP19A1 (0.51) CYP19A1HTT
SCHEMBL1039872 0.67 CYP19A1 (0.45) CYP19A1HTT
SCHEMBL13243996 0.67 CYP19A1 (0.45) CYP19A1HTT
SCHEMBL19773983 0.67 CYP19A1 (0.45) CYP19A1HTT
SCHEMBL12600213 0.67 CYP19A1 (0.45) CYP19A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998455-B1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONDS IN THE SIDE CHAIN HOFFMANN LA ROCHE (CH) 2003-10-01 — — EP disclosed
US-6153605-A Arylsecocholadiene derivatives HOFFMAN-LA ROCHE INC. (US) 2000-11-28 — — US disclosed
EP-0998455-A1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONES IN THE SIDE CHAIN F.HOFFMANN-LA ROCHE AG (CH) 2000-05-10 — — EP disclosed
EP-0771789-B1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 HOFFMANN LA ROCHE (CH) 2000-02-16 — — EP disclosed
EP-0977734-A2 ARYLSECOCHOLADIENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-02-09 — — EP disclosed
US-5994569-A USEFUL IN THE TREATMENT OR PREVENTION OF VITAMIN D DEPENDENT DISORDERS AND OF IL-12-DEPENDENT AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-11-30 — — US disclosed
US-5905074-A SKIN DISORDERS, ANTITUMOR AGENTS, VITAMIN D DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1999-05-18 — — US disclosed
WO-1999003828-A1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONES IN THE SIDE CHAIN F.HOFFMANN-LA ROCHE AG (CH) 1999-01-28 — — WO disclosed
WO-1998047866-A2 ARYLSECOCHOLADIENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-10-29 — — WO disclosed
EP-0771789-A1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 F. HOFFMANN-LA ROCHE AG (CH) 1997-05-07 — — EP disclosed
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