SCHEMBL24595657

SCHEMBL24595657

C=CC(=O)OCCC(C)(C)CC(C)(C)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
THRB P10828 1/20 0.38
PPARA Q07869 1/20 0.38
ACHE P22303 6/20 0.38
BACE1 P56817 5/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL22625419 0.91 MAOB (0.41) MAOBMAOATHRBPPARAACHE
SCHEMBL29745995 0.91 MAOB (0.47) MAOBMAOATHRBPPARAACHE
SCHEMBL21065594 0.91 MAOB (0.47) MAOBMAOATHRBPPARAACHE
SCHEMBL22624983 0.90 MAOB (0.40) MAOBMAOATHRBPPARAACHE
SCHEMBL22624964 0.89 MAOB (0.39) MAOBMAOATHRBPPARAACHE
SCHEMBL21116113 0.88 MAOB (0.41) MAOBMAOAPPARAACHEBACE1
SCHEMBL18535434 0.88 THRB (0.44) MAOBMAOATHRBPPARAACHE
SCHEMBL22625145 0.85 THRB (0.38) MAOBMAOATHRBPPARAACHE
SCHEMBL22625281 0.85 THRB (0.39) MAOBMAOATHRBPPARAACHE
SCHEMBL22624928 0.84 THRB (0.40) MAOBMAOATHRBPPARAACHE

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
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed