SCHEMBL29935051

SCHEMBL29935051

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.47
▸ ACLY P53396 2/20 0.42
▸ ACACA Q13085 2/20 0.42
▸ EP300 Q09472 2/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ HSD11B2 P80365 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ESR2 Q92731 2/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ EBP Q15125 1/20 0.31

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
Cycloeucalenone SCHEMBL29510991 0.87 HSD11B1 (0.61) HSD11B1ACLYACACAPTPN11
SCHEMBL29934569 0.85 HSD11B1 (0.51) HSD11B1ACLYACACAPTPN11HSD11B2
SCHEMBL29511134 0.81 ACLY (0.45) HSD11B1ACLYACACAEP300PTPN11
SCHEMBL12634185 0.75 ACLY (0.67) HSD11B1ACLYACACAEP300PTPN11
SCHEMBL29510985 0.75 ACLY (0.67) HSD11B1ACLYACACAEP300PTPN11
SCHEMBL31237297 0.70 HSD11B1 (0.82) HSD11B1ACLYACACAPTPN11PTGS1
SCHEMBL1874653 0.70 ACLY (0.48) HSD11B1ACLYACACAEP300PTPN11
SCHEMBL5824299 0.69 HSD11B1 (0.61) HSD11B1ACLYACACAHSD11B2
SCHEMBL5824245 0.69 HSD11B1 (0.69) HSD11B1ACLYACACAPTPN11HSD11B2
Cycloartenone SCHEMBL29504219 0.69 HSD11B1 (0.61) HSD11B1ACLYACACAPTPN11PTGS1

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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