SCHEMBL13770298

SCHEMBL13770298

CCCC1C2C(C3CC3)CC3=CC(=O)CCC3C2CCC1(C)CC

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.52
▸ PGR P06401 16/20 0.52
▸ NR3C2 P08235 4/20 0.41
▸ CYP19A1 P11511 2/20 0.40

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
SCHEMBL13474804 0.88 AR (0.54) ARPGRNR3C2CYP19A1
SCHEMBL13770350 0.81 CYP19A1 (0.54) ARPGRNR3C2CYP19A1
SCHEMBL13770301 0.81 AR (0.50) ARPGRNR3C2CYP19A1
SCHEMBL13770128 0.80 AR (0.46) ARPGRNR3C2
SCHEMBL13770470 0.74 CYP19A1 (0.56) ARPGRNR3C2CYP19A1
SCHEMBL9136667 0.74 AR (0.50) ARPGRNR3C2CYP19A1
SCHEMBL9136672 0.74 AR (0.50) ARPGRNR3C2CYP19A1
SCHEMBL13770468 0.73 PDK1 (0.40) ARPGR
SCHEMBL13769109 0.73 AR (0.47) ARPGRNR3C2
SCHEMBL13770191 0.72 PGR (0.50) ARPGRNR3C2CYP19A1

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-2009083267-A2 STEROID-17,17-LACTOL DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
Send feedback