SCHEMBL13797697

SCHEMBL13797697

CCC1(CCCCO)CCC2C3CCC(=O)C=C3C=CC2C1C1CC1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.44
▸ PGR P06401 9/20 0.44
▸ NR3C2 P08235 4/20 0.44
▸ LMNA P02545 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ OPRM1 P35372 1/20 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
SCHEMBL13474778 0.84 AR (0.45) ARPGRNR3C2LMNAESR1
SCHEMBL13797499 0.80 AR (0.45) ARPGRNR3C2
SCHEMBL2818265 0.76 AR (0.51) ARPGRNR3C2LMNAESR1
SCHEMBL13770129 0.75 AR (0.46) ARPGRNR3C2
SCHEMBL13769017 0.73 AR (0.44) ARPGRNR3C2LMNAESR1
SCHEMBL11647082 0.72 AR (0.61) ARPGRNR3C2LMNAESR1
SCHEMBL9138223 0.71 AR (0.53) ARPGRNR3C2LMNAESR1
SCHEMBL9138228 0.71 AR (0.53) ARPGRNR3C2LMNAESR1
SCHEMBL13768996 0.70 AR (0.43) ARPGRNR3C2LMNAESR1
SCHEMBL11644759 0.70 PGR (0.58) ARPGRNR3C2LMNAESR1

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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