SCHEMBL14626397

SCHEMBL14626397

COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PELI1 Q96FA3 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ FGFR1 P11362 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
SCHEMBL12216704 0.87 BACE1 (0.52) BACE1HDAC4HDAC2HDAC8MAOB
SCHEMBL14255576 0.82 BACE1 (0.43) BACE1MAOBMAOAPELI1
SCHEMBL12239726 0.81 BACE1 (0.42) BACE1MAOBMAOAPELI1
SCHEMBL12861800 0.80 BACE1 (0.47) BACE1MAOBMAOAPELI1
SCHEMBL13911037 0.77 BACE1 (0.39) BACE1HDAC8MAOBPELI1
SCHEMBL12920788 0.76 RAB9A (0.40) BACE1MAOBMAOAPELI1POLB
SCHEMBL14527894 0.76 BACE1 (0.40) BACE1MAOBMAOAPELI1
SCHEMBL13911035 0.76 MEN1 (0.44) BACE1HDAC2
SCHEMBL9379302 0.73 FYN (0.52) FYNACLYPGRIDO1POLB
SCHEMBL13877529 0.72 QDPR (0.36) BACE1PELI1IDO1

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
WO-2007001095-A1 OPTICAL INFORMATION-RECORDING MEDIUM AND INFORMATION-RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-01-04 — — WO disclosed
Send feedback