SCHEMBL6681351

SCHEMBL6681351

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)Cc1cccc(CO[N+](=O)[O-])n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.66
▸ LMNA P02545 2/20 0.66
▸ PGR P06401 4/20 0.65
▸ NR3C1 P04150 14/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ TNF P01375 1/20 0.59
▸ IL6 P05231 1/20 0.59
▸ SERPINA6 P08185 1/20 0.59
▸ NR3C2 P08235 1/20 0.59
▸ AR P10275 1/20 0.59
▸ GLUL P15104 1/20 0.59
▸ ADAM17 P78536 1/20 0.59
▸ GPBAR1 Q8TDU6 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ KMT2A Q03164 1/20 0.55
▸ USP2 O75604 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL13692216 0.91 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13694230 0.90 HIF1A (0.66) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655931 0.89 HIF1A (0.66) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655987 0.89 HIF1A (0.68) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655947 0.89 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655943 0.87 HIF1A (0.78) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655939 0.85 HIF1A (0.79) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL15662128 0.84 PGR (0.78) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655915 0.84 HIF1A (0.67) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13692238 0.84 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470150-A2 CORTICOSTEROIDS NITRATE DERIVATIVES Nicox S.A. (FR) 2004-10-27 — — EP disclosed
WO-2003064443-A2 NEW CORTICOSTEROIDS NICOX S.A. (FR) 2003-08-07 — — WO disclosed
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