SCHEMBL5870636

SCHEMBL5870636

CC(C)C[C@@H](CC(=O)O)C(=O)n1ccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.37
MME P08473 3/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
MMP1 P03956 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L2 Q92843 1/20 0.36
FFAR1 O14842 1/20 0.36
ADAMTS4 O75173 1/20 0.36
CYP17A1 P05093 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LARS1 Q9P2J5 1/20 0.36
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 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
SCHEMBL5870355 0.81 ANPEP (0.42) MMP2MMEMMP9MMP8ANPEP
SCHEMBL5870283 0.81 ANPEP (0.42) MMP2MMEMMP9MMP8ANPEP
SCHEMBL5096058 0.69 IDH1 (0.44) MEN1KMT2A
SCHEMBL5557763 0.68 MMP8 (0.64) MMP2MMP9MMP8ANPEPMMP1
SCHEMBL5870352 0.66 NTSR1 (0.40) MMEMMP1CYP17A1CPA1ACE
Biphenyl SCHEMBL5907627 0.65 MMP12 (0.53) MMP2MMP9FFAR1ADAMTS4
Biphenyl SCHEMBL27757756 0.65 CPA1 (0.56) MMP2MMEMMP9FFAR1MEN1
SCHEMBL7355706 0.64 HSD17B10 (0.52) CPA1CPB1CPA3CPB2
SCHEMBL8048833 0.64 HSD17B10 (0.52) CPA1CPB1CPA3CPB2
SCHEMBL8481077 0.64 FFAR1 (0.48) MMP2MMP9FFAR1ADAMTS4

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-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed