SCHEMBL13770301

SCHEMBL13770301

CCCC1C2C(CCC1(C)CC)C1CCC(=O)C=C1C1CC12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.50
▸ PGR P06401 11/20 0.50
▸ CYP19A1 P11511 6/20 0.39
▸ NR3C2 P08235 1/20 0.36

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
SCHEMBL13770298 0.81 AR (0.52) ARPGRCYP19A1NR3C2
SCHEMBL13474804 0.80 AR (0.54) ARPGRCYP19A1NR3C2
SCHEMBL13770350 0.75 CYP19A1 (0.54) ARPGRCYP19A1NR3C2
SCHEMBL13770191 0.73 PGR (0.50) ARPGRCYP19A1NR3C2
SCHEMBL13770157 0.73 PGR (0.35) ARPGR
SCHEMBL13769015 0.72 PDK1 (0.33) ARPGR
SCHEMBL4107418 0.72 PGR (0.54) ARPGRCYP19A1NR3C2
SCHEMBL4101599 0.72 PGR (0.54) ARPGRCYP19A1NR3C2
SCHEMBL4212471 0.72 PGR (0.61) ARPGRCYP19A1NR3C2
SCHEMBL4212006 0.72 PGR (0.61) ARPGRCYP19A1NR3C2

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
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