SCHEMBL8535220

SCHEMBL8535220

CNC(=O)[C@@H](N(C)C(=O)C(CS)NC(=O)[C@H](CCN1C(=O)N(C)C(C)(C)C1=O)SC(C)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP3 P08254 4/20 0.48
MMP13 P45452 4/20 0.48
MMP7 P09237 1/20 0.48
MMP14 P50281 1/20 0.48
MMP8 P22894 1/20 0.36
ADAM17 P78536 1/20 0.33

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
SCHEMBL7629106 0.89 MMP1 (0.61) MMP1MMP2MMP9MMP3MMP13
SCHEMBL6763693 0.89 MMP1 (0.61) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7604548 0.78 MMP3 (0.63) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7606336 0.77 MMP1 (0.77) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7887186 0.74 MMP1 (0.42) MMP1MMP2MMP9MMP3MMP13
SCHEMBL6554500 0.71 MMP2 (0.64) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7608470 0.68 MMP2 (0.40) MMP1MMP2MMP9MMP3MMP13
SCHEMBL6555661 0.68 MMP1 (0.78) MMP1MMP2MMP9MMP3MMP13
SCHEMBL6760102 0.68 MMP3 (0.81) MMP1MMP2MMP9MMP3MMP13
SCHEMBL6766456 0.66 MMP1 (0.67) MMP1MMP2MMP9MMP3MMP13

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-5981490-A ADMINISTERING A PEPTIDYL COMPOUND FOR TREATMENT IN A HUMAN OR ANIMAL OF A CONDITION ASSOCIATED WITH MATRIX METALIOPROTEINASES OR THAT IS MEDIATED BY TUMOR NECROSIS FACTOR ALPHA OR L-SELECTIN SHEDDASE DARWIN DISCOVERY, LTD. (GB) 1999-11-09 US disclosed