SCHEMBL13797684

SCHEMBL13797684

CCC12CCC3C4CCC(=O)C=C4CCC3C1[C@@H]1C[C@@H]1C2(C)OCCI

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.49
▸ AR P10275 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ESR1 P03372 2/20 0.49
▸ SHBG P04278 2/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ NR3C2 P08235 1/20 0.48
▸ CYP19A1 P11511 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ SERPINA6 P08185 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL13797501 0.87 PGR (0.59) PGRARLMNASLC6A4MEN1
SCHEMBL13797584 0.86 PGR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL13796670 0.85 PGR (0.50) PGRARLMNASLC6A4MEN1
SCHEMBL13770151 0.82 PGR (0.59) PGRARLMNASLC6A4MEN1
SCHEMBL13556641 0.81 PGR (0.60) PGRARLMNASLC6A4MEN1
SCHEMBL13557260 0.81 AR (0.51) PGRARLMNASLC6A4MEN1
SCHEMBL11864369 0.79 PGR (0.60) PGRARLMNASLC6A4MEN1
SCHEMBL4102296 0.79 PGR (0.55) PGRARLMNASLC6A4MEN1
SCHEMBL13768597 0.78 PGR (0.59) PGRARLMNASLC6A4MEN1
SCHEMBL9619030 0.77 PGR (0.56) PGRARLMNASLC6A4MEN1

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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