Sugi Predict

Sugi Predict / Compounds / SCHEMBL8344036

SCHEMBL8344036

SCHEMBL8344036

CCCC(=O)NCCC(CC(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 20/20 0.59
▸ MMP9 P14780 16/20 0.59
▸ MMP8 P22894 6/20 0.52
▸ MMP12 P39900 6/20 0.52
▸ MMP14 P50281 6/20 0.52
▸ MMP1 P03956 7/20 0.52
▸ MMP3 P08254 7/20 0.52
▸ MMP13 P45452 7/20 0.52
▸ MMP7 P09237 6/20 0.52

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
SCHEMBL6412212 0.76 MMP2 (0.73) MMP2MMP9MMP8MMP12MMP14
SCHEMBL6417672 0.73 MMP2 (0.60) MMP2MMP9MMP8MMP12MMP14
SCHEMBL8340848 0.73 MMP2 (0.56) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7064512 0.70 MMP2 (0.64) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7409462 0.70 MMP2 (1.00) MMP2MMP9MMP14MMP1MMP3
SCHEMBL5190668 0.70 MMP2 (0.64) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7409456 0.70 MMP2 (1.00) MMP2MMP9MMP14MMP1MMP3
SCHEMBL7100832 0.68 MMP9 (0.69) MMP2MMP9MMP8MMP12MMP14
SCHEMBL14602281 0.68 MMP2 (0.79) MMP2MMP9MMP8MMP12MMP14
SCHEMBL8839412 0.67 MMP2 (0.68) MMP2MMP9MMP8MMP12MMP14

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
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 — — US disclosed