SCHEMBL6802222

SCHEMBL6802222

COc1ccc(CCNC(=O)/C(=C\O)c2ccc(C(C)C)cc2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
GAA P10253 1/20 0.57
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 1/20 0.52
CNR1 P21554 1/20 0.52
HPGD P15428 1/20 0.52
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 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
SCHEMBL6802226 1.00 ALDH1A1 (0.72) ALDH1A1GAABCHEACHEMAPT
SCHEMBL6802437 0.89 GAA (0.72) ALDH1A1GAALMNATP53CA12
SCHEMBL6802441 0.89 GAA (0.72) ALDH1A1GAALMNATP53CA12
SCHEMBL6796160 0.87 ALDH1A1 (0.70) ALDH1A1GAAMAPTLMNACA12
SCHEMBL6796158 0.87 ALDH1A1 (0.70) ALDH1A1GAAMAPTLMNACA12
SCHEMBL6800192 0.87 MAPT (0.64) ALDH1A1GAAMAPTLMNACA12
SCHEMBL6800196 0.87 MAPT (0.64) ALDH1A1GAAMAPTLMNACA12
SCHEMBL6796102 0.86 ALDH1A1 (0.66) ALDH1A1GAABCHEACHEMAPT
SCHEMBL6796103 0.86 ALDH1A1 (0.66) ALDH1A1GAABCHEACHEMAPT
SCHEMBL6803593 0.86 ALDH1A1 (0.64) ALDH1A1GAAMAPTCA12CA1

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