SCHEMBL5086029

SCHEMBL5086029

NC(=O)/C=C\C(=O)Nc1ccccc1NC(=O)/C=C\C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
HTT P42858 6/20 0.70
MAPT P10636 5/20 0.70
GAA P10253 1/20 0.70
LMNA P02545 5/20 0.64
MCL1 Q07820 1/20 0.64
PKM P14618 3/20 0.60
NLRP1 Q9C000 1/20 0.60
KDM4E B2RXH2 4/20 0.59
HPGD P15428 4/20 0.59
DDAH1 O94760 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
CYP2C9 P11712 1/20 0.51
LPAR2 Q9HBW0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
SMN1; SMN2 Q16637 5/20 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
SCHEMBL5176155 0.90 MMP1 (0.65) ALDH1A1HTTMAPTGAALMNA
SCHEMBL5176144 0.90 MMP1 (0.65) ALDH1A1HTTMAPTGAALMNA
SCHEMBL5177059 0.90 MMP1 (0.65) ALDH1A1HTTMAPTGAALMNA
SCHEMBL11296246 0.87 MMP1 (0.64) ALDH1A1HTTMAPTGAALMNA
SCHEMBL2680876 0.87 MMP1 (0.64) ALDH1A1HTTMAPTGAALMNA
SCHEMBL28884330 0.87 ALDH1A1 (0.65) ALDH1A1HTTMAPTGAALMNA
SCHEMBL2680872 0.87 MMP1 (0.64) ALDH1A1HTTMAPTGAALMNA
SCHEMBL27523895 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPTGAALMNA
SCHEMBL5177075 0.83 CA1 (0.56) ALDH1A1HTTMAPTGAALMNA
SCHEMBL5175035 0.83 CA1 (0.56) ALDH1A1HTTMAPTGAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904571-A1 PEROXIDE-CURED THERMOPLASTIC VULCANIZATES Advanced Elastomer Systems, L.P. (US) 2008-04-02 EP disclosed
US-20070021564-A1 Peroxide-cured thermoplastic vulcanizates ADVANCED ELASTOMER SYSTEMS, L.P. 2007-01-25 US disclosed
WO-2007008271-A1 PEROXIDE-CURED THERMOPLASTIC VULCANIZATES ADVANCED ELASTOMER SYSTEMS, L.P. (US) 2007-01-18 WO disclosed