SCHEMBL27780950

SCHEMBL27780950

CC(=O)[C@@]12OC1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O)C[C@@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.72
▸ HIF1A Q16665 9/20 0.66
▸ LMNA P02545 4/20 0.66
▸ NR3C2 P08235 6/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ HSD11B1 P28845 2/20 0.59
▸ HSD11B2 P80365 2/20 0.59
▸ SERPINA6 P08185 5/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ NR3C1 P04150 3/20 0.58
▸ PGR P06401 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ SHBG P04278 3/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ AR P10275 2/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ BLM P54132 1/20 0.54

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
SCHEMBL28106323 1.00 CYP17A1 (0.72) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL11880147 0.93 HIF1A (0.62) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL2019946 0.89 HIF1A (0.61) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL13768969 0.85 HIF1A (0.64) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL2020622 0.85 HIF1A (0.73) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL21706395 0.84 HIF1A (0.63) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL16017612 0.84 HIF1A (0.63) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL4539514 0.84 CYP17A1 (1.00) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL7993136 0.84 CYP17A1 (1.00) CYP17A1HIF1ALMNANR3C2SMN1; SMN2
SCHEMBL29500568 0.84 CYP17A1 (1.00) CYP17A1HIF1ALMNANR3C2SMN1; SMN2

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
CN-101544682-B 11-keto-16,17-epoxyprogesterone and industrial production method YUNXIAN ZHAO 2011-02-09 — — CN disclosed
CN-101544682-A 11-keto-16,17-epoxyprogesterone and industrial production method YUNXIAN ZHAO 2009-09-30 — — CN disclosed
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