SCHEMBL11047537

SCHEMBL11047537

CC[C@]12C[C@H](Cl)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H](O)CC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 3/20 0.38
▸ SERPINA6 P08185 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PGR P06401 7/20 0.38
▸ AR P10275 6/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ NR3C2 P08235 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
SCHEMBL11042166 0.84 PGR (0.40) SHBGSERPINA6ALDH1A1PGRAR
SCHEMBL11048229 0.84 PGR (0.40) SHBGSERPINA6ALDH1A1PGRAR
SCHEMBL1421923 0.81 CYP19A1 (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL2318050 0.81 CYP19A1 (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL9327894 0.81 CYP19A1 (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16661465 0.81 CYP19A1 (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL11044681 0.81 CYP19A1 (0.48) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL11140879 0.77 PGR (0.52) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL11044038 0.77 PGR (0.40) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL23397900 0.74 CYP19A1 (0.48) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464365-A 11β-Chloro-Δ15 -steroids, a process for their preparation and pharmaceutical preparations containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-07 — — US disclosed
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