SCHEMBL8939368

SCHEMBL8939368

C=C(CCOc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.73
MMP3 P08254 7/20 0.63
MMP1 P03956 1/20 0.63
MMP9 P14780 1/20 0.63
MMP13 P45452 1/20 0.63
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
HRH2 P25021 4/20 0.46
HRH1 P35367 4/20 0.46
ABCB1 P08183 1/20 0.45
HPGD P15428 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL8939351 0.93 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP13
SCHEMBL4846755 0.92 MMP3 (0.65) MMP2MMP3MMP1MMP9MMP13
SCHEMBL4408915 0.90 HDAC1 (0.66) MMP2MMP3MMP1MMP9MMP13
SCHEMBL1274377 0.90 HDAC1 (0.66) MMP2MMP3MMP1MMP9MMP13
SCHEMBL3849333 0.88 MMP2 (0.59) MMP2MMP3MMP1MMP9MMP13
SCHEMBL9412044 0.85 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP13
Acrylic Acid SCHEMBL29908968 0.85 HDAC1 (0.59) MMP2MMP3MMP1MMP9MMP13
SCHEMBL16380470 0.84 MMP2 (1.00) MMP2MMP3MMP1MMP9MMP13
SCHEMBL16375963 0.84 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP13
SCHEMBL28071918 0.84 MMP3 (0.62) MMP2MMP3HDAC1HDAC2HRH3

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-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed