SCHEMBL903442

SCHEMBL903442

CC(C)(C)C(=O)SCC(=O)[C@@]1(N=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.59
▸ NR3C1 P04150 8/20 0.59
▸ NR3C2 P08235 4/20 0.59
▸ PGR P06401 3/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ SERPINA6 P08185 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ SHBG P04278 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ AR P10275 1/20 0.55
▸ CHRM1 P11229 1/20 0.55

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
Tixocortol Pivalate SCHEMBL5484132 0.87 NR3C1 (0.75) HIF1ANR3C1NR3C2PGRCYP2C19
Tixocortol Pivalate SCHEMBL6828 0.87 NR3C1 (0.75) HIF1ANR3C1NR3C2PGRCYP2C19
Tixocortol Pivalate SCHEMBL6827 0.87 NR3C1 (0.75) HIF1ANR3C1NR3C2PGRCYP2C19
Tixocortol Pivalate SCHEMBL1792227 0.83 HIF1A (0.69) HIF1ANR3C1NR3C2PGRCYP2C19
Tixocortol Pivalate SCHEMBL16516121 0.78 NR3C1 (0.72) HIF1ANR3C1NR3C2PGRCYP2C19
Hydrocortisone SCHEMBL27426095 0.76 HIF1A (0.89) HIF1ANR3C1NR3C2PGRCYP2C19
SCHEMBL903430 0.76 NR3C2 (0.80) HIF1ANR3C1NR3C2PGRCYP2C19
SCHEMBL13332834 0.76 NR3C2 (0.80) HIF1ANR3C1NR3C2PGRCYP2C19
Hydrocortisone SCHEMBL24900238 0.75 HIF1A (1.00) HIF1ANR3C1NR3C2PGRCYP2C19
SCHEMBL12396665 0.75 HIF1A (0.85) HIF1ANR3C1NR3C2PGRCYP2C19

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-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 — — WO disclosed
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