SCHEMBL15225616

SCHEMBL15225616

CC(C)COC(=O)OCC#CCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.74
▸ PGR P06401 5/20 0.74
▸ AR P10275 5/20 0.74
▸ NR3C2 P08235 2/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ PTGS1 P23219 1/20 0.74
▸ CYP3A4 P08684 5/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ HIF1A Q16665 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CHRM1 P11229 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL4216147 1.00 NR3C1 (0.74) NR3C1PGRARNR3C2CNR1
SCHEMBL4228286 0.95 NR3C1 (0.73) NR3C1PGRARNR3C2CNR1
SCHEMBL4227104 0.94 NR3C1 (0.72) NR3C1PGRARNR3C2CNR1
SCHEMBL13928701 0.94 NR3C1 (0.77) NR3C1PGRARNR3C2CNR1
SCHEMBL4209916 0.94 NR3C1 (0.77) NR3C1PGRARNR3C2CNR1
SCHEMBL15226064 0.94 NR3C1 (0.74) NR3C1PGRARNR3C2CNR1
SCHEMBL15226068 0.94 NR3C1 (0.76) NR3C1PGRARNR3C2CNR1
SCHEMBL4214715 0.94 NR3C1 (0.76) NR3C1PGRARNR3C2CNR1
SCHEMBL15226031 0.93 NR3C1 (0.77) NR3C1PGRARNR3C2CNR1
SCHEMBL4220984 0.93 NR3C1 (0.77) NR3C1PGRARNR3C2CNR1

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
EP-2004667-B1 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCED RES CO LTD (IN) 2013-09-04 — — EP disclosed
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