SCHEMBL14134887

SCHEMBL14134887

CC(=O)NC(CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]12C)C(=O)OCCCCON(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.61
▸ LMNA P02545 5/20 0.61
▸ NR3C1 P04150 4/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ PGR P06401 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ CNR1 P21554 2/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.53
▸ AR P10275 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TNF P01375 2/20 0.52
▸ IKBKB O14920 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ PRKCA P17252 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
SCHEMBL13407292 1.00 HIF1A (0.61) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL14135351 0.94 HIF1A (0.62) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL3301319 0.94 HIF1A (0.62) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL13407289 0.94 HIF1A (0.59) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL14135287 0.94 HIF1A (0.59) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL3303257 0.94 HIF1A (0.62) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL13407112 0.92 HIF1A (0.57) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL13388765 0.91 HIF1A (0.59) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL13407294 0.91 HIF1A (0.56) HIF1ALMNANR3C1CYP3A4PGR
SCHEMBL13407223 0.91 HIF1A (0.64) HIF1ALMNANR3C1CYP3A4PGR

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
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 — — WO disclosed
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