SCHEMBL7383233

SCHEMBL7383233

COc1cc(C(=O)c2ccc(OCc3ccccc3)cc2C=O)c(OC)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.55
ERN1 O75460 2/20 0.49
MAOB P27338 1/20 0.49
BCHE P06276 1/20 0.46
PARP15 Q460N3 1/20 0.44
APP P05067 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL7383227 0.83 TUBB1 (0.53) TUBB1ERN1MAOBBCHEKDM4E
SCHEMBL9302788 0.79 SRD5A2 (0.54) MAOBMAPTHTT
SCHEMBL6069413 0.78 MAOB (0.49) TUBB1ERN1MAOBBCHEKDM4E
SCHEMBL20815159 0.78 TUBB1 (0.58) TUBB1ERN1MAOBBCHEKDM4E
SCHEMBL435043 0.78 ALDH1A1 (0.61) TUBB1ERN1MAOBAPPHDAC8
SCHEMBL6035502 0.78 TUBB1 (0.72) TUBB1ERN1MAOBMAPT
SCHEMBL10797158 0.76 MAOB (0.72) MAOBPARP15KDM4EMAPT
SCHEMBL21755487 0.76 PARP15 (0.56) MAOBPARP15APPKDM4E
SCHEMBL9304203 0.76 MAOB (0.48) ERN1MAOBMAPTHTTPDE4A
SCHEMBL1448026 0.75 MAOB (0.61) MAOBPARP15KDM4ECTSVCTSL

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-1998038168-A1 ISOQUINOLINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1998-09-03 WO disclosed