SCHEMBL13770651

SCHEMBL13770651

CCC1C2CC(CO)C3=CC(=O)CCC3C2CCC1(C)CCCCOC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.49
▸ AR P10275 7/20 0.49
▸ NR3C2 P08235 1/20 0.47
▸ CYP19A1 P11511 9/20 0.41
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ SERPINA6 P08185 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL13797345 0.80 PGR (0.48) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL13768460 0.80 PGR (0.48) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL13797344 0.78 PGR (0.46) PGRARNR3C2CYP19A1
SCHEMBL13770649 0.74 AR (0.44) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL13770460 0.74 AR (0.49) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL13770481 0.71 AR (0.41) PGRARNR3C2CYP19A1
SCHEMBL10089114 0.71 PGR (0.57) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL14009903 0.69 PGR (0.57) PGRARNR3C2CYP19A1SLC22A1
SCHEMBL10089121 0.69 PGR (0.68) PGRARNR3C2CYP19A1ALDH1A1
SCHEMBL13770654 0.68 PGR (0.61) PGRARNR3C2CYP19A1ALDH1A1

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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