SCHEMBL29601841

SCHEMBL29601841

OCCOc1ccc2ccc(-c3cccc4ccccc34)cc2c1-c1c(OCCO)ccc2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
IDO1 P14902 1/20 0.44
ALOX5 P09917 1/20 0.44
SLC6A9 P48067 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
PPARG P37231 8/20 0.42
PPARA Q07869 8/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HDAC8 Q9BY41 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
SCHEMBL28703716 0.95 SLC6A9 (0.42) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL20774244 0.92 ALOX5 (0.45) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL30634846 0.92 ALOX5 (0.45) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL29631695 0.92 ALOX5 (0.45) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL31443121 0.91 ALOX5 (0.44) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL27113964 0.89 IDO1 (0.48) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL29127414 0.86 IDO1 (0.42) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL29127416 0.86 IDO1 (0.46) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL21359802 0.85 IDO1 (0.49) CHRNB4CHRNA3CHRNA7IDO1ALOX5
SCHEMBL30675906 0.85 IDO1 (0.49) CHRNB4CHRNA3CHRNA7IDO1ALOX5

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