SCHEMBL7129632

SCHEMBL7129632

COC(=O)C1(S(=O)(=O)N2CCC(c3ccc(-c4cccc(OCCNS(=O)(=O)c5ccccc5)c4)c(C)c3)CC2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP3 P08254 7/20 0.52
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP14 P50281 2/20 0.51
HTR7 P34969 5/20 0.36
HTR1A P08908 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL6964787 0.89 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437469 0.88 MMP2 (0.63) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433636 0.86 MMP2 (0.55) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586377 0.85 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6433435 0.85 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6435026 0.84 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6964268 0.84 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434175 0.83 MMP2 (0.54) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434246 0.83 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434243 0.83 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14

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
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed