Aglepristone

Aglepristone

SCHEMBL13625155

CC=C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)C[C@@]21C

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.72
▸ PGR P06401 11/20 0.72
▸ AR P10275 8/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ CYP2D6 P10635 3/20 0.72
▸ CYP2C19 P33261 3/20 0.72
▸ CYP2C9 P11712 3/20 0.72
▸ ESR1 P03372 3/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ NR3C2 P08235 2/20 0.72
▸ OPRM1 P35372 2/20 0.72
▸ ESR2 Q92731 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ TP53 P04637 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ THPO P40225 1/20 0.72

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
Aglepristone SCHEMBL2108967 1.00 NR3C1 (0.72) NR3C1PGRARCYP3A4CYP2D6
Aglepristone SCHEMBL16673291 1.00 NR3C1 (0.72) NR3C1PGRARCYP3A4CYP2D6
Aglepristone SCHEMBL9849187 1.00 NR3C1 (0.72) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL9359259 0.94 NR3C1 (0.71) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL9847474 0.94 NR3C1 (0.71) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL20621627 0.92 NR3C1 (0.73) NR3C1PGRARCYP3A4CYP2D6
Lilopristone SCHEMBL21740506 0.92 PGR (0.71) NR3C1PGRARCYP3A4CYP2D6
Lilopristone SCHEMBL21010775 0.92 PGR (0.71) NR3C1PGRARCYP3A4CYP2D6
Lilopristone SCHEMBL21740509 0.92 PGR (0.71) NR3C1PGRARCYP3A4CYP2D6
Lilopristone SCHEMBL10453406 0.92 PGR (0.71) NR3C1PGRARCYP3A4CYP2D6

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-2009134725-A2 COMPOSITIONS AND METHODS FOR TREATING PROGESTERONE-DEPENDENT CONDITIONS REPROS THERAPEUTICS INC. (US) 2009-11-05 — — WO disclosed
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