SCHEMBL6293181

SCHEMBL6293181

O=C(CC(CCn1nnc2ccccc2c1=O)C(=O)O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.56
MMP3 P08254 5/20 0.56
MMP9 P14780 5/20 0.56
MMP13 P45452 5/20 0.56
MMP1 P03956 4/20 0.56
GPR139 Q6DWJ6 3/20 0.52
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7551832 0.86 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7886287 0.85 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893154 0.85 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7554346 0.85 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300844 0.85 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL17150507 0.83 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.83 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL12473092 0.82 MMP2 (0.53) 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
US-6900194-B1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives as matrix metalloprotease inhibitors for the treatment of respiratory diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed