SCHEMBL9713883

SCHEMBL9713883

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C(CCCN1CCCC1)C(=O)NOCc1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.51
MMP1 P03956 5/20 0.45
MMP3 P08254 4/20 0.45
MMP2 P08253 4/20 0.45
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP13 P45452 2/20 0.45

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
SCHEMBL9713877 1.00 ADAM17 (0.51) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9714079 0.85 ADAM17 (0.56) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9713913 0.83 ADAM17 (0.59) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9714100 0.83 ADAM17 (0.59) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9713889 0.81 ADAM17 (0.65) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9714201 0.74 ADAM17 (0.67) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9714002 0.74 ADAM17 (0.57) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL9713993 0.74 ADAM17 (0.57) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL4635106 0.73 ADAM17 (0.61) ADAM17MMP1MMP3MMP2MMP9
SCHEMBL4635111 0.73 ADAM17 (0.61) ADAM17MMP1MMP3MMP2MMP9

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
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed