SCHEMBL13770350

SCHEMBL13770350

CCCC1C2CCC3=CC(=O)CCC3C2CCC1(C)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.54
▸ SHBG P04278 2/20 0.51
▸ SERPINA6 P08185 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ PGR P06401 6/20 0.49
▸ AR P10275 5/20 0.49
▸ LMNA P02545 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ESR1 P03372 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ NR3C2 P08235 1/20 0.48
▸ OPRM1 P35372 1/20 0.47

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
SCHEMBL13770470 0.90 CYP19A1 (0.56) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9139913 0.84 CYP19A1 (0.57) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9139911 0.84 CYP19A1 (0.57) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13770191 0.82 PGR (0.50) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13474804 0.82 AR (0.54) CYP19A1SHBGPGRARNR3C2
SCHEMBL13557243 0.81 CYP19A1 (0.55) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13770298 0.81 AR (0.52) CYP19A1PGRARNR3C2
SCHEMBL13770472 0.78 SHBG (0.47) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13770301 0.75 AR (0.50) CYP19A1PGRARNR3C2
SCHEMBL10380864 0.74 PGR (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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-2009083268-A2 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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