Emoroidocarpan

Emoroidocarpan

SCHEMBL31237801

C=C(C)[C@H]1Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.54
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ MAPT P10636 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN1 P18031 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2C9 P11712 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GMNN O75496 1/20 0.32

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
SCHEMBL14812146 0.70 PTPN1 (0.66) CYP3A4MAOAMAOBMAPTMAPK1
SCHEMBL14812147 0.70 PTPN1 (0.66) CYP3A4MAOAMAOBMAPTMAPK1
Maackiain SCHEMBL29670858 0.70 MAOA (1.00) CYP3A4MAOAMAOBMAPTMAPK1
Maackiain SCHEMBL28064249 0.70 MAOA (1.00) CYP3A4MAOAMAOBMAPTMAPK1
SCHEMBL12891393 0.70 MAOA (0.71) CYP3A4MAOAMAOBMAPTMAPK1
Maackiain SCHEMBL12810278 0.70 MAOA (1.00) CYP3A4MAOAMAOBMAPTMAPK1
SCHEMBL12810804 0.70 MAOA (0.71) CYP3A4MAOAMAOBMAPTMAPK1
SCHEMBL8223903 0.68 MAOA (0.71) CYP3A4MAOAMAOBMAPTMAPK1
Pterocarpin SCHEMBL1248055 0.68 MAPT (1.00) CYP3A4MAOAMAOBMAPTMAPK1
Pterocarpin SCHEMBL1248057 0.68 MAPT (1.00) CYP3A4MAOAMAOBMAPTMAPK1

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
Send feedback