SCHEMBL7304852

SCHEMBL7304852

CC(=O)N1CCC(CSc2ccc(Oc3ccc(Cl)cc3)cc2)(C(=O)NO)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.45
MMP1 P03956 10/20 0.45
MMP9 P14780 10/20 0.45
ADAM17 P78536 10/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 6/20 0.44
MMP14 P50281 5/20 0.44
MMP3 P08254 5/20 0.44
MMP8 P22894 4/20 0.44
MMP7 P09237 3/20 0.44
MMP10 P09238 2/20 0.44
ABCB11 O95342 1/20 0.44
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL7309706 0.89 MMP13 (0.57) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7309299 0.82 MMP1 (0.46) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7310855 0.82 MMP13 (0.56) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7304591 0.82 MMP1 (0.64) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7297023 0.81 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL7307938 0.80 MMP13 (0.70) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7309131 0.79 MMP1 (0.39) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6998853 0.75 MMP1 (0.56) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7001941 0.75 MMP1 (0.56) MMP13MMP1MMP9ADAM17ALDH1A1
SCHEMBL7302297 0.75 MEN1 (0.44) MMP13ADAM17ALDH1A1GAASMN1; SMN2

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed