SCHEMBL29934767

SCHEMBL29934767

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.77
▸ ACLY P53396 2/20 0.46
▸ ACACA Q13085 2/20 0.46
▸ PTPN11 Q06124 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ESR2 Q92731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ HSD11B2 P80365 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38

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
SCHEMBL31237297 0.91 HSD11B1 (0.82) HSD11B1ACLYACACAPTPN11TOP2A
SCHEMBL30020818 0.88 HSD11B1 (0.70) HSD11B1ACLYACACAPTPN11TOP2A
SCHEMBL5824245 0.85 HSD11B1 (0.69) HSD11B1ACLYACACAPTPN11TOP2A
SCHEMBL29512957 0.83 ACLY (0.66) HSD11B1ACLYACACAPTPN11ESR2
Mangiferonic Acid SCHEMBL30415919 0.80 ACLY (0.70) HSD11B1ACLYACACAPTPN11MAPK1
Mangiferonic Acid SCHEMBL29873759 0.80 ACLY (0.70) HSD11B1ACLYACACAPTPN11MAPK1
SCHEMBL30741399 0.80 HSD11B1 (0.62) HSD11B1ACLYACACAPTPN11MAPK1
SCHEMBL5824299 0.80 HSD11B1 (0.61) HSD11B1ACLYACACATOP2AMEN1
Cycloartenone SCHEMBL29504219 0.80 HSD11B1 (0.61) HSD11B1ACLYACACAPTPN11TOP2A
SCHEMBL29934719 0.78 PTPN11 (0.71) HSD11B1ACLYACACAPTPN11MAPK1

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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