SCHEMBL7865130

SCHEMBL7865130

CCCCCCCCCCC#Cc1ccc(C(=O)CC(CCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.51
MMP12 P39900 2/20 0.51
MMP9 P14780 10/20 0.49
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CDC25A P30304 6/20 0.39

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
SCHEMBL7860408 1.00 MMP2 (0.51) MMP2MMP12MMP9MMP3MMP13
SCHEMBL7862695 0.96 MMP2 (0.50) MMP2MMP12MMP9MMP3MMP13
SCHEMBL10021381 0.96 MMP2 (0.50) MMP2MMP12MMP9MMP3MMP13
SCHEMBL7861855 0.90 MMP2 (0.44) MMP2MMP12MMP9MMP3MMP13
SCHEMBL7860511 0.85 MMP2 (0.47) MMP2MMP12MMP9MMP3MMP13
SCHEMBL7860406 0.83 THRA (0.48) MMP2MMP9MMP3MMP13
SCHEMBL7860432 0.83 THRA (0.48) MMP2MMP9MMP3MMP13
SCHEMBL7860409 0.83 THRA (0.48) MMP2MMP9MMP3MMP13
SCHEMBL7854961 0.83 THRA (0.48) MMP2MMP9MMP3MMP13
SCHEMBL7854992 0.83 MMP2 (0.52) MMP2MMP9CDC25A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923529-B1 SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-09-19 EP disclosed
US-5863915-A ENZYME INHIBITORS FOR BONES AND JOINTS BAYER CORPORATION (US) 1999-01-26 US disclosed