SCHEMBL5823474

SCHEMBL5823474

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.57
▸ ACLY P53396 2/20 0.40
▸ ACACA Q13085 2/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ CRYAB P02511 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ HSD11B2 P80365 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PLA2G1B P04054 1/20 0.34
▸ DNMT1 P26358 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
Vaticinone SCHEMBL29670808 0.85 HSD11B1 (0.60) HSD11B1ACLYACACAPTPN11CRYAB
SCHEMBL5824299 0.82 HSD11B1 (0.61) HSD11B1ACLYACACACRYABMAPT
SCHEMBL5822876 0.80 HSD11B1 (0.59) HSD11B1ACLYACACAPTPN11CRYAB
SCHEMBL30741399 0.79 HSD11B1 (0.62) HSD11B1ACLYACACAPTPN11CRYAB
Cycloartenone SCHEMBL29504219 0.78 HSD11B1 (0.61) HSD11B1ACLYACACAPTPN11MAPT
SCHEMBL5824245 0.78 HSD11B1 (0.69) HSD11B1ACLYACACAPTPN11CRYAB
SCHEMBL31237297 0.77 HSD11B1 (0.82) HSD11B1ACLYACACAPTPN11CRYAB
Mangiferonic Acid SCHEMBL30415919 0.75 ACLY (0.70) HSD11B1ACLYACACAPTPN11MAPT
Mangiferonic Acid SCHEMBL29873759 0.75 ACLY (0.70) HSD11B1ACLYACACAPTPN11MAPT
SCHEMBL30020818 0.75 HSD11B1 (0.70) HSD11B1ACLYACACAPTPN11CRYAB

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
JP-2006131595-A CARCINOGENESIS PREVENTING AGENT AND METHOD FOR PREPARING CYCLOARTANE-TYPE TRITERPENE COMPOUND UNIV NIHON 2006-05-25 — — JP disclosed
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