SCHEMBL29512957

SCHEMBL29512957

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.66
▸ ACACA Q13085 2/20 0.66
▸ PTPN11 Q06124 1/20 0.62
▸ HSD11B1 P28845 8/20 0.56
▸ HSD11B2 P80365 1/20 0.56
▸ ESR2 Q92731 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ ESR1 P03372 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HMGCR P04035 1/20 0.35

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
SCHEMBL11408854 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL14520017 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL13801861 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL982765 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL13420256 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL14047057 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL12152345 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL1878721 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL1878720 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2
SCHEMBL1653320 0.89 ACLY (0.63) ACLYACACAPTPN11HSD11B1HSD11B2

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
CN-109549927-B Solid solution compositions and their use in cardiovascular disease 因佛斯特医疗有限公司 2022-03-29 — — CN disclosed
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