SCHEMBL7168979

SCHEMBL7168979

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
PRCP P42785 3/20 0.40
MMP2 P08253 4/20 0.39
MMP3 P08254 3/20 0.39
MMP1 P03956 2/20 0.39
TNF P01375 1/20 0.39
ADAM17 P78536 1/20 0.39
LTA4H P09960 1/20 0.38
ANPEP P15144 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7174038 0.83 TAAR1 (0.39) PRCPMMP2MMP3MMP1LTA4H
SCHEMBL7168974 0.76 MMP2 (0.63) MMP2MMP3MMP1TNFADAM17
SCHEMBL7168987 0.76 BACE1 (0.37) BACE1MMP2MMP3MMP1ANPEP
SCHEMBL8675411 0.68 HDAC1 (0.53) MMP2MMP3MMP1TNFADAM17
SCHEMBL6341887 0.68 HDAC1 (0.53) MMP2MMP3MMP1TNFADAM17
SCHEMBL7173728 0.66 TAAR1 (0.40) BACE1PRCPLTA4HANPEPALDH1A1
SCHEMBL402104 0.65 MEN1 (0.42) PRCP
SCHEMBL398964 0.64 PTGS2 (0.46) PRCPALDH1A1MAPTHPGD
SCHEMBL4876495 0.64 TAAR1 (0.44) PRCP
SCHEMBL403964 0.64 TAAR1 (0.44) PRCP

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