SCHEMBL6796891

SCHEMBL6796891

COc1cc(CCNC(=O)/C(=C\O)c2ccc(Cl)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
ALDH1A1 P00352 1/20 0.58
CNR1 P21554 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NOX4 Q9NPH5 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
TYR P14679 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6796893 1.00 GAA (0.60) GAAALDH1A1CNR1CA1CA2
SCHEMBL6807898 1.00 GAA (0.60) GAAALDH1A1CNR1CA1CA2
SCHEMBL6802441 0.91 GAA (0.72) GAAALDH1A1CNR1CA1CA2
SCHEMBL6802437 0.91 GAA (0.72) GAAALDH1A1CNR1CA1CA2
SCHEMBL6803833 0.90 ALDH1A1 (0.58) ALDH1A1CA1CA2NOX4MTNR1A
SCHEMBL6803831 0.90 ALDH1A1 (0.58) ALDH1A1CA1CA2NOX4MTNR1A
SCHEMBL6798750 0.86 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL6798746 0.86 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL6798948 0.86 GAA (0.53) GAAALDH1A1CNR1CA1CA2
SCHEMBL27593581 0.85 MTNR1A (0.61) GAAALDH1A1MTNR1AMTNR1B

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 1 patent. 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