SCHEMBL12087283

SCHEMBL12087283

Cc1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.70
▸ LMNA P02545 4/20 0.70
▸ NR3C1 P04150 4/20 0.70
▸ PGR P06401 4/20 0.70
▸ CYP3A4 P08684 3/20 0.70
▸ NR1I2 O75469 2/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ CNR1 P21554 1/20 0.67
▸ KCNH2 Q12809 1/20 0.67
▸ USP2 O75604 1/20 0.67
▸ TNF P01375 3/20 0.66
▸ IKBKB O14920 2/20 0.66
▸ JAK2 O60674 2/20 0.66
▸ ROCK2 O75116 2/20 0.66
▸ PRKCA P17252 2/20 0.66
▸ PRKACA P17612 2/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ JAK1 P23458 2/20 0.66
▸ PRKCH P24723 2/20 0.66

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
SCHEMBL13659978 0.93 HIF1A (0.68) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL13659970 0.93 HIF1A (0.71) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL13655925 0.92 HIF1A (0.66) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL1535419 0.90 HIF1A (0.75) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL21790141 0.90 HIF1A (0.75) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL23207755 0.89 HIF1A (0.75) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL12087285 0.88 HIF1A (0.66) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL12087280 0.88 HIF1A (0.66) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL13659963 0.88 HIF1A (0.68) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL12087295 0.88 HIF1A (0.84) HIF1ALMNANR3C1PGRCYP3A4

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-1940863-B1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX SA (FR) 2012-09-05 — — EP disclosed
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