SCHEMBL29918665

SCHEMBL29918665

O=C1CCCCCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54
MAPT P10636 1/20 0.44
MT-CO2 P00403 1/20 0.42
ALOX5 P09917 1/20 0.42
MCL1 Q07820 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3809154 0.98 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25197523 0.93 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30927142 0.93 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1810756 0.93 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1797263 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22749632 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8781861 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5722120 0.84 MAOB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL409843 0.83 GPR84 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5722045 0.81 MAOB (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-115073482-A Benzoxobridge cycloheptanone indoline compound and synthetic method thereof 南京林业大学 2022-09-20 CN disclosed