SCHEMBL9138437

SCHEMBL9138437

CC(=O)[C@@]1(C)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@@H]32)[C@@H]1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.59
▸ CYP19A1 P11511 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SHBG P04278 2/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ PGR P06401 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ ABCB11 O95342 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ AR P10275 2/20 0.51
▸ CHRM2 P08172 1/20 0.51

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
SCHEMBL9138463 0.82 SERPINA6 (0.41) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9136097 0.82 SERPINA6 (0.41) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9136100 0.82 SERPINA6 (0.41) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9138461 0.82 SERPINA6 (0.41) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9727554 0.79 SERPINA6 (0.53) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9727559 0.79 SERPINA6 (0.53) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9138336 0.79 CYP19A1 (0.55) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9138309 0.79 CYP19A1 (0.55) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9139911 0.78 CYP19A1 (0.57) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1
SCHEMBL9139913 0.78 CYP19A1 (0.57) SERPINA6CYP19A1ALDH1A1SHBGSLC22A1

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 5 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
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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