SCHEMBL13769374

SCHEMBL13769374

CC1C2CC2C2C3CC(CO)C4=CC(=O)CCC4C3CCC12C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.54
▸ AR P10275 8/20 0.54
▸ NR3C2 P08235 1/20 0.48
▸ CYP19A1 P11511 5/20 0.43
▸ SERPINA6 P08185 2/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL10089114 0.77 PGR (0.57) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL4213899 0.75 PGR (0.55) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL13333282 0.73 PGR (0.51) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL13925594 0.73 PGR (0.51) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL10089124 0.71 PGR (0.70) PGRARNR3C2CYP19A1ALDH1A1
SCHEMBL4214248 0.71 PGR (0.68) PGRARNR3C2CYP19A1ALDH1A1
SCHEMBL14009903 0.71 PGR (0.57) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL10089121 0.71 PGR (0.68) PGRARNR3C2CYP19A1ALDH1A1
SCHEMBL14009969 0.71 CYP19A1 (0.56) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL13796510 0.70 PGR (0.47) PGRARNR3C2CYP19A1SERPINA6

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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