SCHEMBL11044513

SCHEMBL11044513

CC[C@]12C[C@H](Cl)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C=C[C@@]2(O)C#CCl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.56
▸ AR P10275 10/20 0.56
▸ LMNA P02545 5/20 0.56
▸ SLC6A4 P31645 4/20 0.56
▸ ESR1 P03372 4/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ NR3C1 P04150 6/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ SHBG P04278 3/20 0.42
▸ ABCB11 O95342 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NR3C2 P08235 2/20 0.38
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADRA2A P08913 1/20 0.34

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
SCHEMBL11044675 0.93 PGR (0.56) PGRARLMNASLC6A4ESR1
SCHEMBL10882201 0.90 PGR (0.70) PGRARLMNASLC6A4ESR1
SCHEMBL10477551 0.84 PGR (0.79) PGRARLMNASLC6A4ESR1
SCHEMBL10880661 0.84 PGR (0.45) PGRARLMNASLC6A4ESR1
SCHEMBL11127446 0.81 PGR (0.57) PGRARLMNASLC6A4ESR1
SCHEMBL10874229 0.80 PGR (0.56) PGRARLMNASLC6A4ESR1
SCHEMBL10881425 0.80 PGR (0.52) PGRARLMNASLC6A4ESR1
SCHEMBL10881299 0.79 PGR (0.45) PGRARLMNASLC6A4ESR1
SCHEMBL10883013 0.78 PGR (0.50) PGRARLMNASLC6A4ESR1
SCHEMBL10928606 0.76 PGR (0.79) PGRARLMNASLC6A4ESR1

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