SCHEMBL6801707

SCHEMBL6801707

COc1ccc(CCNC(=O)/C(=C\O)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ALDH1A1 P00352 9/20 0.57
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CNR1 P21554 1/20 0.54
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL6801708 1.00 GAA (0.58) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6802441 0.90 GAA (0.72) GAAALDH1A1LMNASMN1; SMN2CA1
SCHEMBL6802437 0.90 GAA (0.72) GAAALDH1A1LMNASMN1; SMN2CA1
SCHEMBL6796158 0.86 ALDH1A1 (0.70) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6800196 0.86 MAPT (0.64) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6800192 0.86 MAPT (0.64) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6796160 0.86 ALDH1A1 (0.70) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6800020 0.86 GAA (0.53) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6800018 0.86 GAA (0.53) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL6802226 0.86 ALDH1A1 (0.72) GAAALDH1A1LMNAMAPTSMN1; SMN2

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
US-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 EP disclosed