SCHEMBL6962672

SCHEMBL6962672

O=C(NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.54
MMP3 P08254 7/20 0.53
MMP1 P03956 3/20 0.52
SIRT2 Q8IXJ6 5/20 0.51
SIRT1 Q96EB6 4/20 0.51
SIRT3 Q9NTG7 3/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51

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
SCHEMBL8709618 1.00 SIRT5 (0.54) SIRT5MMP3MMP1SIRT2SIRT1
SCHEMBL6966791 0.90 CTSL (0.57) MMP3MMP1SIRT2SIRT1SIRT3
SCHEMBL6962504 0.89 MMP3 (0.55) MMP3MMP1HDAC6HDAC3HDAC4
SCHEMBL6962508 0.89 MMP3 (0.55) MMP3MMP1HDAC6HDAC3HDAC4
SCHEMBL6967513 0.88 SIRT2 (0.60) MMP3MMP1SIRT2SIRT1SIRT3
SCHEMBL6958535 0.88 MMP3 (0.57) MMP3MMP1SIRT2SIRT1SIRT3
SCHEMBL6958538 0.88 MMP3 (0.57) MMP3MMP1SIRT2SIRT1SIRT3
SCHEMBL6964283 0.86 MMP3 (0.65) MMP3MMP1
SCHEMBL6964276 0.86 MMP3 (0.65) MMP3MMP1
SCHEMBL6968594 0.85 MMP3 (0.71) MMP3MMP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed