SCHEMBL13797573

SCHEMBL13797573

CC[C@]12CCC3C4CCC(=O)C=C4C=CC3C1C(C)C(C)[C@@]21CCCO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.54
▸ NR3C2 P08235 6/20 0.54
▸ PGR P06401 16/20 0.52
▸ LMNA P02545 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL12942781 0.89 AR (0.57) ARNR3C2PGR
SCHEMBL12942739 0.89 AR (0.57) ARNR3C2PGR
SCHEMBL12942849 0.89 AR (0.57) ARNR3C2PGR
SCHEMBL13557271 0.80 AR (0.55) ARNR3C2PGRLMNAESR1
SCHEMBL13474795 0.78 AR (0.57) ARNR3C2PGRLMNAESR1
SCHEMBL13062189 0.78 AR (0.67) ARNR3C2PGRLMNAESR1
SCHEMBL12942770 0.78 AR (0.44) ARNR3C2PGR
SCHEMBL13767673 0.77 AR (0.58) ARNR3C2PGRLMNA
SCHEMBL12942959 0.77 AR (0.58) ARNR3C2PGRLMNA
SCHEMBL13556643 0.77 AR (0.58) ARNR3C2PGRLMNA

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
WO-2009083271-A1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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