SCHEMBL15225889

SCHEMBL15225889

CCC(=O)O[C@]1(C(=O)OCC(=O)c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.73
▸ PGR P06401 5/20 0.73
▸ NR1I2 O75469 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ DRD2 P14416 1/20 0.73
▸ OPRD1 P41143 1/20 0.73
▸ CYP3A4 P08684 6/20 0.70
▸ USP2 O75604 5/20 0.70
▸ LMNA P02545 3/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ MLNR O43193 1/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ CYP3A5 P20815 1/20 0.70
▸ PPARG P37231 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL15225881 1.00 NR3C1 (0.73) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL15225917 0.88 NR3C1 (0.69) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11420824 0.88 NR3C1 (0.80) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL4215320 0.88 PGR (0.70) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11416504 0.87 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL9768468 0.85 NR3C1 (1.00) NR3C1PGRNR1I2MAPTADORA3
Dexamethasone Dipropionate SCHEMBL43107 0.85 NR3C1 (1.00) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL10013893 0.85 NR3C1 (1.00) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL20097870 0.85 NR3C1 (1.00) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL11429865 0.85 NR3C1 (1.00) NR3C1PGRNR1I2MAPTADORA3

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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