SCHEMBL13769152

SCHEMBL13769152

CCC[C@@H]1C2CC2C2C3CC4(CC4)C4=CC(=O)CCC4C3CCC21CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.48
▸ AR P10275 8/20 0.48
▸ CYP19A1 P11511 6/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL13797698 0.90 PGR (0.45) PGRARCYP19A1LMNASLC6A4
SCHEMBL13333280 0.83 PGR (0.47) PGRARCYP19A1LMNASLC6A4
SCHEMBL13770191 0.80 PGR (0.50) PGRARCYP19A1LMNASLC6A4
SCHEMBL13769381 0.74 AR (0.55) PGRARCYP19A1LMNACYP3A4
SCHEMBL10089117 0.73 PGR (0.54) PGRARCYP19A1LMNASLC6A4
SCHEMBL13333536 0.72 PGR (0.52) PGRARCYP19A1LMNASLC6A4
SCHEMBL4110108 0.72 PGR (0.52) PGRARCYP19A1LMNASLC6A4
SCHEMBL13769023 0.72 PGR (0.43) PGRARCYP19A1LMNASLC6A4
SCHEMBL4210002 0.71 PGR (0.52) PGRARCYP19A1LMNASLC6A4
SCHEMBL4108700 0.70 SHBG (0.52) PGRARCYP19A1LMNASLC6A4

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-2009083270-A1 15,16-METHYLENE-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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