SCHEMBL7861855

SCHEMBL7861855

O=C(CC(CCN1C(=O)c2ccccc2C1=O)C(=O)O)c1ccc(C#CCCCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.44
MMP9 P14780 15/20 0.44
MMP3 P08254 2/20 0.43
MMP13 P45452 2/20 0.43
MMP12 P39900 1/20 0.38
TSHR P16473 2/20 0.38
MMP1 P03956 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL7865130 0.90 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP12
SCHEMBL7860408 0.90 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP12
SCHEMBL7862695 0.90 MMP2 (0.50) MMP2MMP9MMP3MMP13MMP12
SCHEMBL10021381 0.90 MMP2 (0.50) MMP2MMP9MMP3MMP13MMP12
SCHEMBL7860511 0.89 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP12
SCHEMBL7864883 0.83 MMP2 (0.45) MMP2MMP9MMP3MMP13TSHR
SCHEMBL8480599 0.82 MMP2 (0.48) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7854939 0.81 FFAR1 (0.43) MMP2MMP9MMP3MMP12TSHR
SCHEMBL7865124 0.81 TSHR (0.58) MMP2MMP9MMP3MMP13TSHR
SCHEMBL8482551 0.79 MMP2 (0.52) MMP2MMP9MMP3MMP13MMP12

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 7 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 claimed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 EP claimed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 WO claimed
EP-0923529-B1 SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-09-19 EP disclosed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 EP disclosed
US-5863915-A ENZYME INHIBITORS FOR BONES AND JOINTS BAYER CORPORATION (US) 1999-01-26 US disclosed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 WO disclosed