SCHEMBL9138228

SCHEMBL9138228

CC[C@@]1(C)CC[C@@H]2[C@H]3CCC(=O)C=C3C=C[C@H]2C1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.53
▸ PGR P06401 7/20 0.53
▸ NR3C2 P08235 2/20 0.53
▸ CYP19A1 P11511 4/20 0.36
▸ LMNA P02545 3/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ SHBG P04278 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SERPINA6 P08185 1/20 0.33
▸ THRB P10828 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
SCHEMBL9138223 1.00 AR (0.53) ARPGRNR3C2CYP19A1LMNA
SCHEMBL13474796 0.77 AR (0.50) ARPGRNR3C2CYP19A1LMNA
SCHEMBL13797495 0.77 AR (0.44) ARPGRNR3C2
SCHEMBL14099451 0.76 AR (0.49) ARPGRNR3C2CYP19A1LMNA
SCHEMBL13474810 0.76 AR (0.57) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12638972 0.76 AR (0.56) ARPGRNR3C2CYP19A1SHBG
SCHEMBL13770649 0.75 AR (0.44) ARPGRNR3C2CYP19A1LMNA
SCHEMBL13809834 0.75 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL1656805 0.75 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL6841944 0.74 AR (0.55) ARPGRNR3C2CYP19A1LMNA

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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