SCHEMBL9136672

SCHEMBL9136672

CC[C@@]1(C)CC[C@H]2[C@H](C1C)[C@@H](Br)CC1=CC(=O)CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.50
▸ PGR P06401 14/20 0.45
▸ NR3C2 P08235 5/20 0.45
▸ SLC22A1 O15245 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SHBG P04278 1/20 0.42
▸ SERPINA6 P08185 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP19A1 P11511 2/20 0.42

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
SCHEMBL9136667 1.00 AR (0.50) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL9139913 0.80 CYP19A1 (0.57) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL9139911 0.80 CYP19A1 (0.57) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL13474804 0.77 AR (0.54) ARPGRNR3C2SHBGCYP19A1
SCHEMBL13770298 0.74 AR (0.52) ARPGRNR3C2CYP19A1
SCHEMBL13770470 0.72 CYP19A1 (0.56) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL5017816 0.71 AR (0.67) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL5017813 0.71 AR (0.67) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL13557243 0.71 CYP19A1 (0.55) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL9138223 0.70 AR (0.53) ARPGRNR3C2SLC22A1ALDH1A1

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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