SCHEMBL7168987

SCHEMBL7168987

CC(C)(C)[C@](C)(NC(=O)C(c1ccc(-c2ccccc2)cc1)C(O)C(=O)NO)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
PTGS2 P35354 1/20 0.35
ANPEP P15144 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL7174040 0.81 TAAR1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7168979 0.76 BACE1 (0.40) BACE1MMP1MMP2MMP3MMP9
SCHEMBL7168974 0.74 MMP2 (0.63) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8675411 0.70 HDAC1 (0.53) MMP1MMP2MMP3MMP8ANPEP
SCHEMBL6341887 0.70 HDAC1 (0.53) MMP1MMP2MMP3MMP8ANPEP
SCHEMBL2842461 0.64 HDAC4 (0.81) PTGS2
SCHEMBL6341820 0.62 KMT2A (0.45) MMP1MMP2MMP3LMNA
Biphenyl SCHEMBL402802 0.61 TAAR1 (0.51) MMP1MMP2MMP3MMP9MMP8
SCHEMBL10141816 0.61 HDAC1 (0.50) BACE1LMNAMAPT
SCHEMBL403964 0.61 TAAR1 (0.44) PTGS2TAAR1

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-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US disclosed