SCHEMBL6954697

SCHEMBL6954697

CC(C)(C)OC(=O)NC(C(=O)Nc1n[nH]c(=S)s1)C(C)(C)C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.45
MMP1 P03956 5/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
MMP2 P08253 1/20 0.43
CA2 P00918 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6954692 1.00 MMP3 (0.45) MMP3MMP1CA1CA9MMP2
SCHEMBL6963446 0.86 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL6963435 0.86 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL6965221 0.84 CA1 (0.44) MMP3MMP1CA1CA9MMP2
SCHEMBL6963277 0.80 MMP3 (0.53) MMP3MMP1CA1MMP2CA2
SCHEMBL6961552 0.79 MMP3 (0.64) MMP3MMP1CA1CA9MMP2
SCHEMBL6968705 0.78 MMP3 (0.52) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6957813 0.77 MMP3 (0.46) MMP3MMP1CA1CA9MMP2
SCHEMBL6963624 0.76 PPARA (0.45) MAPT
SCHEMBL6963626 0.76 PPARA (0.45) MAPT

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 7 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
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed