SCHEMBL9139913

SCHEMBL9139913

CC[C@@]1(C)CC[C@@H]2[C@H]3CCC(=O)C=C3CC[C@H]2C1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.57
▸ PGR P06401 6/20 0.54
▸ SHBG P04278 2/20 0.54
▸ SERPINA6 P08185 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ LMNA P02545 5/20 0.52
▸ AR P10275 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ SLC6A4 P31645 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ NR3C2 P08235 1/20 0.51
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL9139911 1.00 CYP19A1 (0.57) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL13770470 0.86 CYP19A1 (0.56) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL13557243 0.85 CYP19A1 (0.55) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL13770350 0.84 CYP19A1 (0.54) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL9136672 0.80 AR (0.50) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL9136667 0.80 AR (0.50) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL9138437 0.78 SERPINA6 (0.59) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL9138336 0.77 CYP19A1 (0.55) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL9138309 0.77 CYP19A1 (0.55) CYP19A1PGRSHBGSERPINA6ALDH1A1
SCHEMBL13949610 0.76 PGR (0.69) CYP19A1PGRSHBGSERPINA6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478862-A Having progestational activity with minimum ancillary hormonal activity; antiovulation agents SRI INTERNATIONAL (US) 1995-12-26 — — US disclosed
EP-0500899-B1 NOVEL 15,16-SECO-19-NOR PROGESTINS STANFORD RES INST INT (US) 1995-10-18 — — EP disclosed
US-5321044-A Ovulation suppression SRI INTERNATIONAL (US) 1994-06-14 — — US disclosed
EP-0500899-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS. STANFORD RES INST INT (US) 1992-09-02 — — EP disclosed
US-5116865-A Antifertility Agents SRI INTERNATIONAL, A CORP OF CA 1992-05-26 — — US disclosed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 — — WO disclosed
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