SCHEMBL9019858

SCHEMBL9019858

C[C@]12C[C@H](c3ccc(-c4ccoc4)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ SHBG P04278 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ PGR P06401 11/20 0.44
▸ AR P10275 10/20 0.43
▸ NR3C1 P04150 8/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ MCL1 Q07820 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR3C2 P08235 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37

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
SCHEMBL9019864 0.85 ALDH1A1 (0.50) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL8536771 0.85 SERPINA6 (0.58) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL19042741 0.85 SERPINA6 (0.58) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL8536980 0.85 SERPINA6 (0.52) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL9019849 0.85 SERPINA6 (0.52) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL9019886 0.85 SERPINA6 (0.52) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL20048229 0.84 SERPINA6 (0.57) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL8540722 0.82 ALDH1A1 (0.49) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL23131144 0.82 SERPINA6 (0.55) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL19042720 0.82 PGR (0.60) SERPINA6ALDH1A1SLC22A1SHBGTHRB

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
EP-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP disclosed
EP-0404283-A2 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-27 — — EP disclosed
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