SCHEMBL8939351

SCHEMBL8939351

C=C(CCCOc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.67
MMP3 P08254 6/20 0.59
MMP1 P03956 1/20 0.58
MMP9 P14780 1/20 0.58
MMP13 P45452 1/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 8/20 0.48
HRH2 P25021 7/20 0.48
HRH1 P35367 7/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL4846755 0.96 MMP3 (0.65) MMP2MMP3MMP1MMP9MMP13
SCHEMBL3849333 0.96 MMP2 (0.59) MMP2MMP3MMP1MMP9MMP13
SCHEMBL1274377 0.94 HDAC1 (0.66) MMP2MMP3MMP1MMP9MMP13
SCHEMBL4408915 0.94 HDAC1 (0.66) MMP2MMP3MMP1MMP9MMP13
SCHEMBL8939368 0.93 MMP2 (0.73) MMP2MMP3MMP1MMP9MMP13
SCHEMBL9436675 0.90 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP13
Acrylic Acid SCHEMBL29908968 0.89 HDAC1 (0.59) MMP2MMP3MMP1MMP9MMP13
SCHEMBL1285747 0.85 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP13
SCHEMBL3189876 0.85 HDAC1 (0.63) MMP3HDAC1HDAC2HRH3HRH1
SCHEMBL4610826 0.82 MMP2 (0.61) MMP2MMP3MMP1MMP9MMP13

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