SCHEMBL13769231

SCHEMBL13769231

CCC12CCC3C4CCC(=N)C=C4[C@H](CO)CC3C1C1CC1C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.48
▸ AR P10275 5/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ CYP19A1 P11511 2/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ NR1I2 O75469 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
SCHEMBL12942711 0.84 PGR (0.47) PGRARNR3C2CYP19A1
SCHEMBL15417487 0.83 AR (0.56) PGRARNR3C2CYP19A1MEN1
SCHEMBL12998934 0.83 PGR (0.64) PGRARNR3C2CYP19A1MEN1
SCHEMBL12942855 0.76 PGR (0.60) PGRARNR3C2CYP19A1LMNA
SCHEMBL15417445 0.76 AR (0.55) PGRARNR3C2CYP19A1
SCHEMBL16715968 0.75 AR (0.82) PGRARNR3C2
SCHEMBL12924010 0.74 AR (0.84) PGRARNR3C2
SCHEMBL16572788 0.74 PGR (0.41) PGRARNR3C2CYP19A1
SCHEMBL12998927 0.73 PGR (0.77) PGRARNR3C2CYP19A1MEN1
SCHEMBL13769000 0.73 PGR (0.77) PGRARNR3C2CYP19A1MEN1

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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