SCHEMBL31238358

SCHEMBL31238358

COc1ccc2c(c1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 1.00
▸ MAOB P27338 2/20 1.00
▸ MAPT P10636 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ PTGS1 P23219 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ PTPN1 P18031 2/20 0.45
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ F3 P13726 3/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ MAPK9 P45984 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL20138512 0.86 MAOA (0.75) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL20138510 0.86 MAOA (0.75) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL31357396 0.86 MAOA (0.75) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL31357397 0.86 MAOA (0.75) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL27836059 0.85 MAOA (0.73) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL20138482 0.82 PTGS1 (0.81) MAOAMAOBMAPTMAPK1TDP1
SCHEMBL20138484 0.82 PTGS1 (0.81) MAOAMAOBMAPTMAPK1TDP1
Pterocarpin SCHEMBL1248055 0.76 MAPT (1.00) MAOAMAOBMAPTMAPK1TDP1
Pterocarpin SCHEMBL1248057 0.76 MAPT (1.00) MAOAMAOBMAPTMAPK1TDP1
Pterocarpin SCHEMBL29361907 0.76 MAPT (1.00) MAOAMAOBMAPTMAPK1TDP1

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
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