SCHEMBL13797698

SCHEMBL13797698

CCC12CCC3C4CCC(=O)C=C4C4(CC4)CC3C1[C@@H]1C[C@@H]1C2CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.45
▸ AR P10275 10/20 0.45
▸ LMNA P02545 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SHBG P04278 2/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SERPINA6 P08185 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ NR3C2 P08235 2/20 0.32
▸ CYP19A1 P11511 2/20 0.31

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
SCHEMBL13769152 0.90 PGR (0.48) PGRARLMNASLC6A4MEN1
SCHEMBL13333280 0.80 PGR (0.47) PGRARLMNASLC6A4MEN1
SCHEMBL13769381 0.71 AR (0.55) PGRARLMNACYP3A4SHBG
SCHEMBL13770191 0.70 PGR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL10089117 0.70 PGR (0.54) PGRARLMNASLC6A4CYP3A4
SCHEMBL4110108 0.69 PGR (0.52) PGRARLMNASLC6A4MEN1
SCHEMBL13333536 0.69 PGR (0.52) PGRARLMNASLC6A4MEN1
SCHEMBL4108700 0.69 SHBG (0.52) PGRARLMNASLC6A4MEN1
SCHEMBL13796033 0.69 CYP19A1 (0.35) PGRARLMNASLC6A4MEN1
SCHEMBL4210002 0.68 PGR (0.52) PGRARLMNASLC6A4CYP3A4

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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