SCHEMBL9617606

SCHEMBL9617606

O=C1CCC(=O)c2c1c(O)c1cc3ccccc3cc1c2O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NQO1 P15559 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL375358 0.85 KDM4E (0.61) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL31218584 0.85 KDM4E (0.61) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL29612818 0.85 KDM4E (0.61) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL17464270 0.77 ALDH1A1 (0.39) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL27737884 0.74 CYP1A2 (0.52) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2115679 0.71 CYP1A2 (0.50) MEN1KMT2AKDM4ENPC1RAB9A
Quinizarin SCHEMBL5241340 0.71 MEN1 (0.63) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL17464268 0.71 MAPT (0.42) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL1756450 0.70 CASP1 (0.59) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL28872648 0.69 ALDH1A1 (0.50) MAPTMEN1KMT2AKDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4049274-A None JP disclosed
JP-H0449274-A NOVEL TETRASELENOTETRACENE AND COMPLEX CONTAINING THE SAME DAISO CO LTD 1992-02-18 JP disclosed