SCHEMBL6800751

SCHEMBL6800751

COc1ccc(CCNC(=O)/C(=C/OC(F)F)c2ccc3ccccc3c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
OPRM1 P35372 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NAMPT P43490 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL6800756 1.00 MAPT (0.54) MAPTRXFP1ALDH1A1KMT2AHPGD
SCHEMBL6797921 0.93 NOX4 (0.46) MAPTRXFP1ALDH1A1KMT2AHPGD
SCHEMBL6797915 0.93 NOX4 (0.46) MAPTRXFP1ALDH1A1KMT2AHPGD
SCHEMBL6800757 0.91 MAPT (0.45) MAPTRXFP1ALDH1A1KMT2AHPGD
SCHEMBL6800754 0.91 MAPT (0.45) MAPTRXFP1ALDH1A1KMT2AHPGD
SCHEMBL6801546 0.89 MAPT (0.58) MAPTALDH1A1KMT2AHPGDPOLB
SCHEMBL6801543 0.89 MAPT (0.58) MAPTALDH1A1KMT2AHPGDPOLB
SCHEMBL6796102 0.87 ALDH1A1 (0.66) MAPTALDH1A1HPGDPLAAT3PLAAT5
SCHEMBL6796103 0.87 ALDH1A1 (0.66) MAPTALDH1A1HPGDPLAAT3PLAAT5
SCHEMBL6796850 0.87 ALDH1A1 (0.62) MAPTALDH1A1KMT2APKMPOLB

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