SCHEMBL7554346

SCHEMBL7554346

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.57
MMP3 P08254 5/20 0.57
MMP9 P14780 5/20 0.57
MMP13 P45452 5/20 0.57
MMP1 P03956 4/20 0.57
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
GPR139 Q6DWJ6 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
MGAM O43451 2/20 0.47
AMY1A P0DUB6 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7893154 0.90 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300844 0.90 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.89 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.89 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7886287 0.88 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.87 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7551832 0.86 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8203574 0.85 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6293181 0.85 MMP2 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6409094 0.81 MMP2 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217994-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS Bayer Aktiengesellschaft (DE) 2002-07-03 EP disclosed
WO-2001022951-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
EP-1087761-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBRAL DISEASES Bayer Aktiengesellschaft (DE) 2001-04-04 EP disclosed
WO-2000050017-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF CEREBRAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
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