Isomangiferolic Acid

Isomangiferolic Acid

SCHEMBL30515225

C/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(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 1.00
▸ ACACA Q13085 2/20 1.00
▸ PTPN11 Q06124 1/20 0.72
▸ ESR2 Q92731 2/20 0.57
▸ ACHE P22303 1/20 0.56
▸ HMGCR P04035 1/20 0.55
▸ HSD11B1 P28845 1/20 0.54
▸ HSD11B2 P80365 1/20 0.54
▸ ESR1 P03372 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ TOP1 P11387 2/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
Mangiferolic Acid SCHEMBL31097460 1.00 ACLY (1.00) ACLYACACAPTPN11ESR2ACHE
Mangiferolic Acid SCHEMBL17057008 1.00 ACLY (1.00) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL560780 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL10034117 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL12368108 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL23754759 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL13644393 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL20778271 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL21754440 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE
Cycloartenol SCHEMBL13420259 0.90 ACLY (0.81) ACLYACACAPTPN11ESR2ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 — — CN disclosed
Send feedback