SCHEMBL30827593

SCHEMBL30827593

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.42
▸ ACLY P53396 2/20 0.40
▸ ACACA Q13085 2/20 0.40
▸ PPARG P37231 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD11B2 P80365 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ NR1H4 Q96RI1 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
SCHEMBL29934458 0.90 HSD11B1 (0.49) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL29934469 0.81 ACLY (0.47) HSD11B1ACLYACACAPTPN11HSD11B2
SCHEMBL13420513 0.79 HSD11B1 (0.54) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL13420201 0.79 HSD11B1 (0.54) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL13420433 0.79 HSD11B1 (0.54) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL23791003 0.71 MEN1 (0.58) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL14047057 0.71 ACLY (0.63) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL14520017 0.71 ACLY (0.63) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL1878720 0.71 ACLY (0.63) HSD11B1ACLYACACAPTPN11MEN1
SCHEMBL982765 0.71 ACLY (0.63) HSD11B1ACLYACACAPTPN11MEN1

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-117776821-A Special soil conditioner for traditional Chinese medicinal materials, and preparation method and application thereof 北京嘉博文生物科技有限公司 2024-03-29 — — CN disclosed
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