SCHEMBL15225904

SCHEMBL15225904

CCCC(=O)O[C@]1(C(=O)SCC(=O)c2ccc(C(F)(F)F)cc2)[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 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.67
▸ PGR P06401 5/20 0.67
▸ AR P10275 5/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ NR3C2 P08235 2/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ CHRM1 P11229 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ CNR1 P21554 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ HIF1A Q16665 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL15226105 0.97 NR3C1 (0.66) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15226179 0.95 NR3C1 (0.75) NR3C1PGRARCYP3A4ADORA3
SCHEMBL4222198 0.95 NR3C1 (0.75) NR3C1PGRARCYP3A4ADORA3
SCHEMBL13928676 0.95 NR3C1 (0.75) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15226022 0.92 NR3C1 (0.66) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15226006 0.92 NR3C1 (0.69) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15225911 0.92 NR3C1 (0.69) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15225690 0.91 NR3C1 (0.63) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15225839 0.90 NR3C1 (0.62) NR3C1PGRARCYP3A4ADORA3
SCHEMBL15225998 0.90 NR3C1 (0.76) NR3C1PGRARCYP3A4ADORA3

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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