SCHEMBL6800192

SCHEMBL6800192

COc1ccc(/C(=C/O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 9/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
GAA P10253 2/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56

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
SCHEMBL6800196 1.00 MAPT (0.64) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6796160 0.91 ALDH1A1 (0.70) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6796158 0.91 ALDH1A1 (0.70) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6802437 0.89 GAA (0.72) ALDH1A1SMN1; SMN2LMNAGAACA12
SCHEMBL6803593 0.89 ALDH1A1 (0.64) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL6802441 0.89 GAA (0.72) ALDH1A1SMN1; SMN2LMNAGAACA12
SCHEMBL6796876 0.88 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6796878 0.88 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6802222 0.87 ALDH1A1 (0.72) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6802226 0.87 ALDH1A1 (0.72) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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