SCHEMBL8096617

SCHEMBL8096617

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAPT P10636 7/20 0.39
TP53 P04637 3/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TARBP2 Q15633 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8094545 0.82 POLB (0.36) MAPTGAAPOLBMEN1KMT2A
SCHEMBL8902496 0.82 MAPK14 (0.39) HTTMAPTGAAPOLBMEN1
SCHEMBL9760352 0.81 LMNA (0.46) HTTMAPTTP53GAAPOLB
SCHEMBL10671062 0.81 PTGS2 (0.44) MAPTGAAPOLBMEN1KMT2A
SCHEMBL10671168 0.79 TSHR (0.37) MAPTGAAPOLBMAOBMEN1
SCHEMBL22721608 0.76 LMNA (0.48) HTTMAPTTP53GAAMEN1
SCHEMBL7541194 0.75 HTT (0.33) HTTMAPTGAAMEN1KMT2A
SCHEMBL20505010 0.72 LIPG (0.46) CA12CA9
SCHEMBL10112748 0.71 POLB (0.68) MAPTTP53GAAPOLBMEN1
SCHEMBL94221 0.71 POLB (0.42) HTTMAPTGAAPOLBKDM4E

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