SCHEMBL9714201

SCHEMBL9714201

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.67
MMP2 P08253 12/20 0.64
MMP3 P08254 10/20 0.64
MMP1 P03956 10/20 0.64
MMP9 P14780 5/20 0.64
MMP14 P50281 2/20 0.64
MMP13 P45452 4/20 0.62
MMP8 P22894 4/20 0.62
TNF P01375 2/20 0.61
MMP7 P09237 3/20 0.57
MMP20 O60882 1/20 0.57
ADAMTS4 O75173 1/20 0.57
MMP10 P09238 1/20 0.57
MMP12 P39900 1/20 0.57
MMP15 P51511 1/20 0.57
MMP16 P51512 1/20 0.57
MMP25 Q9NPA2 1/20 0.57
MMP26 Q9NRE1 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.57
MMP24 Q9Y5R2 1/20 0.57

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
SCHEMBL26785949 0.81 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL9714084 0.80 ADAM17 (0.76) ADAM17MMP2MMP3MMP1MMP9
SCHEMBL7855580 0.79 MMP1 (0.62) MMP2MMP3MMP1MMP13MMP8
SCHEMBL17510919 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL22284089 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL24252160 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL16156142 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL16156173 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL11989235 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6850568 0.78 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14

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