SCHEMBL8203574

SCHEMBL8203574

CCCCc1ccc(-c2ccc(C(=O)CC(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP3 P08254 5/20 0.51
MMP9 P14780 5/20 0.51
MMP13 P45452 5/20 0.51
MMP1 P03956 4/20 0.51
GPR139 Q6DWJ6 4/20 0.51
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL7886287 0.91 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893154 0.87 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7554346 0.85 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300844 0.85 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7551832 0.85 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7855058 0.84 SMN1; SMN2 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1844732 0.83 GPR139 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.83 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1

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
EP-1031349-A1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives for the treatment of cerebral diseases Bayer Aktiengesellschaft (DE) 2000-08-30 EP disclosed