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SCHEMBL6972635

SCHEMBL6972635

CNCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 13/20 1.00
▸ MMP2 P08253 11/20 1.00
▸ MMP1 P03956 2/20 0.86
▸ MMP9 P14780 2/20 0.86
▸ MMP14 P50281 2/20 0.86
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL6962275 0.99 MMP3 (0.98) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6585851 0.93 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6973528 0.91 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6586804 0.91 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6437562 0.91 MMP2 (0.84) MMP3MMP2MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6971643 0.91 MMP3 (0.98) MMP3MMP2MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL6434162 0.91 MMP2 (0.83) MMP3MMP2MMP1MMP9MMP14
Dimethylamine SCHEMBL6974207 0.90 MMP3 (0.97) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6585076 0.90 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14
SCHEMBL6966079 0.90 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP14

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