SCHEMBL7562073

SCHEMBL7562073

CC(C)[C@@H](C(=O)Nc1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.44
MMP1 P03956 12/20 0.44
MMP2 P08253 9/20 0.42
MMP8 P22894 8/20 0.41
MMP9 P14780 7/20 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
SCHEMBL8902722 0.86 MMP3 (0.46) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7481678 0.85 MMP3 (0.42) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7399055 0.85 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7475200 0.81 MMP3 (0.47) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7360708 0.78 MMP3 (0.38) MMP3MMP1MMP2
SCHEMBL7484700 0.77 MMP3 (0.37) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7359112 0.77 MMP3 (0.42) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7360710 0.76 MMP3 (0.53) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7359871 0.76 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7366301 0.73 MMP3 (0.47) MMP3MMP1MMP2MMP8MMP9

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed