SCHEMBL4325342

SCHEMBL4325342

CCOCCOCC.c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NSD2 O96028 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.40
NCF1 P14598 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.36
CDC25B P30305 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
Ether SCHEMBL11876095 0.88 PTPRC (0.39) KDM4EL3MBTL1NSD2HSP90AA1MAPT
Ether SCHEMBL491471 0.88 PTPRC (0.39) KDM4EL3MBTL1NSD2HSP90AA1MAPT
Ether SCHEMBL7169753 0.86 PTPRC (0.38) KDM4EL3MBTL1NSD2HSP90AA1MAPT
Naphthalene SCHEMBL11180075 0.81 CYP2A6 (0.42) KDM4EL3MBTL1NSD2HSP90AA1MAPT
Ether SCHEMBL4325341 0.79 ALDH1A1 (0.42) KDM4ETDP1ALDH1A1POLBTSHR
Toluene SCHEMBL3648121 0.79 LMNA (0.55) KDM4EL3MBTL1NCF1ALDH1A1TSHR
Ether SCHEMBL11565967 0.77 CDC25B (0.57) KDM4EL3MBTL1NSD2HSP90AA1MAPT
SCHEMBL11562109 0.77 L3MBTL1 (0.59) KDM4EL3MBTL1MAPTNPSR1TDP1
Catechol SCHEMBL11555211 0.77 ALDH1A1 (0.48) KDM4EL3MBTL1MAPTTDP1GAA
Toluene SCHEMBL7649668 0.77 LMNA (0.52) KDM4EL3MBTL1GAANCF1TSHR

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
US-20090062430-A1 Epoxy Resin Composition for Sealing and Electronic Component Device HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 US disclosed