SCHEMBL9138297

SCHEMBL9138297

CC(=O)OC(C)[C@@]1(C)CC[C@H]2[C@@H](C=CC3=CC(=O)CC[C@@H]32)[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.47
▸ PGR P06401 8/20 0.47
▸ NR3C2 P08235 3/20 0.47
▸ NR3C1 P04150 2/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ CYP2C19 P33261 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SERPINA6 P08185 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ TBXA2R P21731 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 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
SCHEMBL9138301 1.00 AR (0.47) ARPGRNR3C2NR3C1PDE4D
SCHEMBL9136998 0.78 SERPINA6 (0.52) ARPGRNR3C1CYP2C19CYP3A4
SCHEMBL9136995 0.78 SERPINA6 (0.52) ARPGRNR3C1CYP2C19CYP3A4
SCHEMBL9140435 0.77 AR (0.53) ARPGRNR3C2NR3C1CYP2C19
SCHEMBL9140431 0.77 AR (0.53) ARPGRNR3C2NR3C1CYP2C19
SCHEMBL14099451 0.74 AR (0.49) ARPGRNR3C2CYP2C19CYP3A4
SCHEMBL9138223 0.74 AR (0.53) ARPGRNR3C2NR3C1CYP2C19
SCHEMBL9138228 0.74 AR (0.53) ARPGRNR3C2NR3C1CYP2C19
SCHEMBL9138425 0.73 AR (0.44) ARPGRNR3C2NR3C1CYP2C19
SCHEMBL9138417 0.73 AR (0.44) ARPGRNR3C2NR3C1CYP2C19

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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