SCHEMBL6957869

SCHEMBL6957869

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.45
MMP1 P03956 6/20 0.45
CASP3 P42574 3/20 0.44
MMP2 P08253 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8710650 1.00 MMP3 (0.45) MMP3MMP1CASP3MMP2MEN1
SCHEMBL7363089 0.92 CASP3 (0.51) MMP3MMP1CASP3MMP2
SCHEMBL7363092 0.92 CASP3 (0.51) MMP3MMP1CASP3MMP2
SCHEMBL7360661 0.85 MMP3 (0.54) MMP3MMP1MMP2
SCHEMBL7470774 0.85 MMP3 (0.54) MMP3MMP1MMP2
SCHEMBL6961469 0.84 MMP3 (0.46) MMP3MMP1CASP3MMP2LMNA
SCHEMBL6961474 0.84 MMP3 (0.46) MMP3MMP1CASP3MMP2LMNA
SCHEMBL6962422 0.83 MEN1 (0.60) MMP3MMP1CASP3MMP2MEN1
SCHEMBL8708271 0.83 MEN1 (0.60) MMP3MMP1CASP3MMP2MEN1
SCHEMBL7358844 0.81 MMP3 (0.59) MMP3MMP1MMP2

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 2 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-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed