SCHEMBL8538436

SCHEMBL8538436

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC(c4ccc(-c5cncnc5)cc4)[C@@H]3[C@H]1CC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.35
▸ SHBG P04278 2/20 0.33
▸ SERPINA6 P08185 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ STS P08842 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31

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
SCHEMBL8542951 0.90 PGR (0.41) CYP19A1PGRCYP17A1
SCHEMBL10449144 0.85 CYP19A1 (0.39) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL8538439 0.80 CYP19A1 (0.35) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9948621 0.75 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL4013302 0.75 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6301566 0.74 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL3356884 0.74 CYP19A1 (0.44) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9947825 0.73 CYP19A1 (0.42) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL7215697 0.73 PGR (0.38) CYP19A1SHBGALDH1A1PGRHIF1A
SCHEMBL9948717 0.72 CYP19A1 (0.41) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843933-A 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
US-5728689-A ANTIGESTAGENIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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