SCHEMBL9141189

SCHEMBL9141189

CC1[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]2CC[C@]1(C)[C@H](C)OC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.44
▸ SERPINA6 P08185 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SHBG P04278 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PGR P06401 5/20 0.41
▸ AR P10275 4/20 0.41
▸ NR3C2 P08235 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL9139808 0.87 CYP19A1 (0.31) CYP19A1
SCHEMBL9138309 0.79 CYP19A1 (0.55) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9138336 0.79 CYP19A1 (0.55) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9136998 0.78 SERPINA6 (0.52) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9136995 0.78 SERPINA6 (0.52) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL10821025 0.70 CYP3A4 (0.66) CYP19A1ALDH1A1SHBGPGRAR
SCHEMBL11866724 0.70 LMNA (0.46) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL10820934 0.69 PGR (0.54) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9139911 0.68 CYP19A1 (0.57) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9139913 0.68 CYP19A1 (0.57) 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 4 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
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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