SCHEMBL6803723

SCHEMBL6803723

COc1ccc(CCNC(=O)/C(=C\OCCF)c2ccc3c(c2)CCCC3)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6803726 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6800929 0.93 ALDH1A1 (0.49) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6800931 0.93 ALDH1A1 (0.49) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6798919 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6798918 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6797833 0.86 LMNA (0.49) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6803466 0.86 LMNA (0.49) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6800170 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6800172 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTTHRBPOLB
SCHEMBL6803491 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTTHRBPOLB

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