SCHEMBL9138336

SCHEMBL9138336

CC1[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]2CC[C@]1(C)[C@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.55
▸ SERPINA6 P08185 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SHBG P04278 2/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ PGR P06401 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ABCB11 O95342 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ NR3C1 P04150 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ AR P10275 2/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ CHRM2 P08172 1/20 0.45

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
SCHEMBL9138309 1.00 CYP19A1 (0.55) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9136998 0.84 SERPINA6 (0.52) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9136995 0.84 SERPINA6 (0.52) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9141227 0.83 SERPINA6 (0.37) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9141220 0.83 SERPINA6 (0.37) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9141189 0.79 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9138437 0.79 SERPINA6 (0.59) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9139911 0.77 CYP19A1 (0.57) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9139913 0.77 CYP19A1 (0.57) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL29754939 0.76 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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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