SCHEMBL6802677

SCHEMBL6802677

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
ALDH1A1 P00352 6/20 0.63
CNR1 P21554 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
CTSD P07339 1/20 0.52
TP53 P04637 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
THRB P10828 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
TRPM5 Q9NZQ8 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6802680 1.00 GAA (0.64) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6798750 0.92 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL6798746 0.92 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL6798948 0.92 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL6800018 0.91 GAA (0.53) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6800020 0.91 GAA (0.53) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6796102 0.91 ALDH1A1 (0.66) GAAALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6796103 0.91 ALDH1A1 (0.66) GAAALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6796850 0.91 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2LMNACA1
SCHEMBL6801546 0.91 MAPT (0.58) GAAALDH1A1SMN1; SMN2LMNACA1

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 4 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 claimed
EP-1295868-A1 AMIDE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-26 EP claimed
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