SCHEMBL13770648

SCHEMBL13770648

CCCC1C2C=CC3=CC(=O)CCC3C2CCC1(C)CCCCI

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.44
▸ PGR P06401 3/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ CYP19A1 P11511 1/20 0.31
▸ SLC22A1 O15245 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SHBG P04278 1/20 0.30
▸ SERPINA6 P08185 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL13474796 0.82 AR (0.50) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13770649 0.81 AR (0.44) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13474778 0.78 AR (0.45) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL9138223 0.74 AR (0.53) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL9138228 0.74 AR (0.53) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13769017 0.74 AR (0.44) ARPGRNR3C2
SCHEMBL14099451 0.73 AR (0.49) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13770129 0.71 AR (0.46) ARPGRNR3C2
SCHEMBL13797495 0.70 AR (0.44) ARPGRNR3C2
SCHEMBL13474752 0.70 AR (0.49) ARPGRNR3C2CYP19A1SLC22A1

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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