SCHEMBL7276282

SCHEMBL7276282

CC(C)(C)OC(=O)C(N)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.48
ALDH1A1 P00352 4/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 3/20 0.44
ACLY P53396 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL7279509 0.84 MMP12 (0.46) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL3703323 0.77 MMP12 (0.60) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL7684870 0.76 EDNRA (0.57)
SCHEMBL24775966 0.74 MMP12 (0.60) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL9920485 0.74 MMP12 (0.64) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL4135845 0.74 MMP12 (0.53) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL4134290 0.74 MMP12 (0.56) MMP12ALDH1A1PARP1MAPTACLY
SCHEMBL1992570 0.73 EDNRA (0.34)
SCHEMBL7438336 0.73 EDNRA (0.39)
SCHEMBL16792458 0.73 MMP12 (0.52) MMP12ALDH1A1PARP1MAPTACLY

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445467-A1 Renin inhibitors and antiviral agents Beecham Group p.l.c. (GB) 1991-09-11 EP disclosed
EP-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 EP disclosed