SCHEMBL8094545

SCHEMBL8094545

CCOc1c(-c2ccc(I)cc2)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.33
POLH Q9Y253 1/20 0.32
NQO1 P15559 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPRC P08575 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
APP P05067 1/20 0.30
ALOX15 P16050 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL8902496 0.82 MAPK14 (0.39) POLBGAAMAPTALDH1A1MEN1
SCHEMBL8096617 0.82 HTT (0.42) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL9760352 0.81 LMNA (0.46) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL10671062 0.81 PTGS2 (0.44) POLBGAAMAPTNQO1ALDH1A1
SCHEMBL10671168 0.79 TSHR (0.37) POLBGAAMAPTALDH1A1KDM4E
SCHEMBL22721608 0.76 LMNA (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL20505010 0.72 LIPG (0.46)
SCHEMBL94221 0.71 POLB (0.42) POLBGAAMAPTNQO1ALDH1A1
SCHEMBL470104 0.69 NQO1 (0.64) GAANQO1ALDH1A1KDM4EMEN1
SCHEMBL9554998 0.67 LTA4H (0.49) MAPTALDH1A1L3MBTL1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6118004-A Cyclobutenedione derivative, manufacturing method thereof and non-linear optical device containing the same FUJI XEROX CO., LTD. (JP) 2000-09-12 US disclosed
EP-0761643-B1 Cyclobutenedione derivative, manufacturing method thereof and non-linear optical device containing the same FUJI XEROX CO LTD (JP) 1999-12-22 EP disclosed
US-5948915-A Cyclobutenedione derivative, manufacturing method thereof and non-linear optical device containing the same FUJI XEROX CO., LTD. (JP) 1999-09-07 US disclosed
US-5726317-A NONLINEAR OPTICAL DEVICE FUJI XEROX CO., LTD. (JP) 1998-03-10 US disclosed
EP-0761643-A2 Cyclobutenedione derivative, manufacturing method thereof and non-linear optical device containing the same FUJI XEROX CO., LTD. (JP) 1997-03-12 EP disclosed