SCHEMBL13769017

SCHEMBL13769017

CCCC1C2C=CC3=CC(=O)CCC3C2CCC1(CC)CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.44
▸ PGR P06401 4/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ PTGER3 P43115 1/20 0.30
▸ PTGER2 P43116 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
SCHEMBL13474778 0.89 AR (0.45) ARPGRNR3C2LMNAESR1
SCHEMBL13770129 0.78 AR (0.46) ARPGRNR3C2
SCHEMBL13769023 0.78 PGR (0.43) ARPGRNR3C2LMNAMAPT
SCHEMBL13474796 0.78 AR (0.50) ARPGRNR3C2LMNA
SCHEMBL13770648 0.74 AR (0.44) ARPGRNR3C2
SCHEMBL13797697 0.73 AR (0.44) ARPGRNR3C2LMNAESR1
SCHEMBL13797499 0.72 AR (0.45) ARPGRNR3C2
SCHEMBL13768996 0.72 AR (0.43) ARPGRNR3C2LMNAESR1
SCHEMBL3766911 0.71 AR (0.51) ARPGRNR3C2LMNAESR1
SCHEMBL6841944 0.69 AR (0.55) 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-2009083266-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID γ-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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