SCHEMBL29136559

SCHEMBL29136559

Cc1ccc(C2(C)C=CC=CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL29094312 0.90
SCHEMBL28575069 0.90
SCHEMBL29139186 0.90
SCHEMBL30404797 0.82 MAOB (0.34) MAOBMAOAACHESLC6A2SLC6A3
SCHEMBL30217567 0.82 MAPK1 (0.34) MAOBMAOASLC6A2SLC6A3CHRNA1
SCHEMBL9629458 0.82 HDAC4 (0.36)
SCHEMBL19393606 0.81 APP (0.32) TDP1SLC6A2CHRNA1CHRNGCHRNB1
Phosphine SCHEMBL27942052 0.80 HDAC4 (0.35) SLC6A4
SCHEMBL29818664 0.78
SCHEMBL28478060 0.78 CHRNA1 (0.37) ACHESLC6A2SLC6A3CHRNA1CHRNG

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-117362565-A High-refractive-index optical resin material, and preparation method and application thereof 益丰新材料股份有限公司 2024-01-09 CN disclosed