SCHEMBL8511173

SCHEMBL8511173

CNC(=O)[C@H](Cc1ccccc1)N(C(=O)[C@@H](N)CC(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.42
MMP2 P08253 7/20 0.42
MMP1 P03956 6/20 0.42
MMP9 P14780 4/20 0.42
MMP7 P09237 3/20 0.42
MMP14 P50281 3/20 0.42
ELANE P08246 1/20 0.41
MAOB P27338 2/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8508599 0.97 MMP3 (0.42) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7402091 0.91 ELANE (0.46) MMP3MMP2MMP1ELANEMAOB
SCHEMBL8510656 0.90 MMP3 (0.38) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7405706 0.89 ELANE (0.47) MMP3MMP2MMP1MMP9ELANE
SCHEMBL7407118 0.85 LARS1 (0.41) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7593717 0.83 ELANE (0.44) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7402161 0.83 MMP3 (0.48) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7397759 0.82 MMP3 (0.49) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7403302 0.82 MMP1 (0.48) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7403458 0.81 LARS1 (0.44) MMP3MMP2MMP1MMP9MMP7

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
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed