SCHEMBL12638972

SCHEMBL12638972

C[C@H]1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.56
▸ PGR P06401 5/20 0.56
▸ NR3C2 P08235 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.43
▸ SERPINA6 P08185 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ SHBG P04278 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ CYP19A1 P11511 6/20 0.38
▸ MCL1 Q07820 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7703808 0.87 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL30140884 0.87 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL2832958 0.87 SHBG (0.59) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL13474816 0.87 AR (0.55) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL29335237 0.85 AR (0.53) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL23383533 0.84 SERPINA6 (0.61) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL13474801 0.84 AR (0.55) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL4212652 0.84 AR (0.55) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL10089012 0.84 AR (0.55) ARPGRNR3C2ALDH1A1SERPINA6
SCHEMBL1650166 0.84 SERPINA6 (0.61) ARPGRNR3C2ALDH1A1SERPINA6

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
EP-1918295-B1 Process and intermediates for the production of 7-substituted antiestrogens ASTRAZENECA AB (SE) 2016-04-06 — — EP disclosed
US-7947667-B2 Aromatization; hydrolysis; deblocking, deprotecting; oxidation; for production of fulvestrant ASTRAZENECA AB (SE) 2011-05-24 — — US disclosed
US-7884222-B2 protecting the 17-hydroxy group and the 3-keto group of nandrolone, then halogenating, methylating, isomerizing, dehydrogenating, reducing, oxidizing, ethynylating and deprotecting to form 17 beta -hydroxy-7 alpha -methyl-19-nor-17 alpha -pregn-5(10)-ene-20-yne-3-one RESOLUTION CHEMICALS LIMITED (GB) 2011-02-08 — — US disclosed
EP-1328538-B1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 7-SUBSTITUTED ANTIESTROGENS ASTRAZENECA AB (SE) 2008-08-06 — — EP disclosed
EP-1918295-A2 Process and Intermediates AstraZeneca AB (SE) 2008-05-07 — — EP disclosed
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