SCHEMBL29601305

SCHEMBL29601305

OCCOc1c(OCCO)c(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
SLC6A9 P48067 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARD Q03181 1/20 0.37
GSK3B P49841 1/20 0.37
ADK P55263 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL29601891 0.87 HTR1B (0.42) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL28711978 0.83 IDO1 (0.47) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL30292764 0.83 SLC6A9 (0.43) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL29351066 0.82 HTR1B (0.43) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL11331409 0.82 HTR1B (0.43) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL29601268 0.82 GPR84 (0.45) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL27113961 0.81 IDO1 (0.49) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL30675909 0.81 CHRNB4 (0.38) CHRNB4CHRNA3CHRNA7HTR1BHTR1D
SCHEMBL30660575 0.81 IDO1 (0.60) HTR1BHTR1DIDO1ALDH1A1SLC6A9
SCHEMBL29601768 0.81 ALDH1A1 (0.44) IDO1ALDH1A1RECQL

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-114375313-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2022-04-19 CN disclosed