SCHEMBL9714207

SCHEMBL9714207

CC(C)C[C@@H](C(=O)N(C)C(=O)[C@@H](N)C(C)(C)C)C(CCCc1ccccc1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
MMP13 P45452 1/20 0.48
MMP2 P08253 6/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 1/20 0.45
MMP3 P08254 2/20 0.44
TSHR P16473 1/20 0.42
FCER2 P06734 1/20 0.41
ADAM17 P78536 1/20 0.41
MMP14 P50281 2/20 0.40
ANPEP P15144 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
SCHEMBL9713827 0.85 GRIK1 (0.39) MMP1MMP13MMP9MMP3
SCHEMBL9714087 0.81 MMP1 (0.41) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7855580 0.79 MMP1 (0.62) MMP1MMP13MMP2MMP8MMP3
SCHEMBL9714088 0.78 CTSK (0.39) MMP1MMP2MMP9
SCHEMBL6982654 0.76 MMP1 (0.52) MMP1MMP13MMP2MMP9MMP8
SCHEMBL9714201 0.76 ADAM17 (0.67) MMP1MMP13MMP2MMP9MMP8
SCHEMBL9714153 0.75 MMP1 (0.49) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6941577 0.72 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7076170 0.71 MMP1 (0.49) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6985193 0.70 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP8

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