SCHEMBL17599781

SCHEMBL17599781

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.56
▸ HSD11B2 P80365 1/20 0.56
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ ACHE P22303 2/20 0.45
▸ ACLY P53396 2/20 0.45
▸ ACACA Q13085 2/20 0.45
▸ PTPN11 Q06124 1/20 0.42
▸ TOP2A P11388 6/20 0.40
▸ TOP2B Q02880 6/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ESR2 Q92731 1/20 0.35
▸ EBP Q15125 1/20 0.34

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
SCHEMBL1878450 1.00 HSD11B1 (0.56) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL9618055 0.87 CRYAB (0.46) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL1874653 0.85 ACLY (0.48) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
3Beta,24,25-Trihydroxycycloartane SCHEMBL3306653 0.84 HSD11B1 (0.76) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL568813 0.82 HSD11B1 (0.50) HSD11B1HSD11B2ACLYACACAPTPN11
SCHEMBL16411312 0.81 ACLY (0.61) HSD11B1HSD11B2ACHEACLYACACA
SCHEMBL13642588 0.78 HSD11B1 (0.62) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL13642319 0.78 HSD11B1 (0.62) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL5824299 0.76 HSD11B1 (0.61) HSD11B1HSD11B2PRKAG1PRKAA2PRKAB1
SCHEMBL14046872 0.73 HSD11B1 (0.63) HSD11B1HSD11B2ACLYACACAPTPN11

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
EP-1930013-B1 AGENT FOR IMPROVING INSULIN RESISTANCE MORINAGA MILK INDUSTRY CO LTD (JP) 2016-03-23 — — EP disclosed
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