SCHEMBL11249101

SCHEMBL11249101

CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.72
▸ PGR P06401 6/20 0.72
▸ ADORA3 P0DMS8 3/20 0.72
▸ NR1I2 O75469 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ OPRD1 P41143 1/20 0.72
▸ CYP3A4 P08684 7/20 0.67
▸ LMNA P02545 3/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ AR P10275 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ SLCO1B3 Q9NPD5 1/20 0.67
▸ SLCO1B1 Q9Y6L6 1/20 0.67
▸ USP2 O75604 5/20 0.65
▸ MEN1 O00255 1/20 0.65

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
Dexamethasone Acefurate SCHEMBL139744 0.92 NR3C1 (0.69) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL9157442 0.90 NR3C1 (0.85) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL4102916 0.89 NR3C1 (0.72) NR3C1PGRADORA3CYP3A4LMNA
SCHEMBL11037864 0.89 NR3C1 (0.72) NR3C1PGRADORA3CYP3A4LMNA
SCHEMBL11251406 0.89 NR3C1 (0.72) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL6860008 0.89 NR3C1 (0.77) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL11037205 0.88 NR3C1 (0.83) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL10865493 0.88 NR3C1 (0.91) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL10864822 0.88 NR3C1 (0.91) NR3C1PGRADORA3NR1I2MAPT
SCHEMBL9768460 0.88 NR3C1 (0.91) NR3C1PGRADORA3NR1I2MAPT

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-0057401-A1 Aromatic heterocyclic esters of steroids, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-08-11 — — EP disclosed
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