SCHEMBL7346071

SCHEMBL7346071

CCCCCCCCCCN(C(=O)OC(C)(C)C)C(=O)C(C)N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
EPHX1 P07099 1/20 0.34
CA14 Q9ULX7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 2/20 0.33
CPB2 Q96IY4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
SLC1A3 P43003 1/20 0.31

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
SCHEMBL7344398 1.00 GRIK1 (0.36) GRIK1GRIK2EPHX1CA14HDAC1
SCHEMBL7351364 0.89 CA14 (0.33) GRIK1GRIK2EPHX1CA14HDAC1
SCHEMBL7349520 0.89 CA14 (0.33) GRIK1GRIK2EPHX1CA14HDAC1
SCHEMBL7345027 0.89 CA14 (0.33) GRIK1GRIK2EPHX1CA14HDAC1
SCHEMBL7349668 0.86 GRIK1 (0.35) GRIK1GRIK2EPHX1CA14HDAC1
SCHEMBL8736769 0.84 HDAC1 (0.41) CA14HDAC1HDAC2HDAC6CPB2
SCHEMBL14802528 0.84 HDAC1 (0.41) CA14HDAC1HDAC2HDAC6CPB2
SCHEMBL25969651 0.84 HDAC1 (0.41) CA14HDAC1HDAC2HDAC6CPB2
SCHEMBL21010750 0.84 HDAC1 (0.41) CA14HDAC1HDAC2HDAC6CPB2
SCHEMBL14396847 0.82 CA14 (0.41) CA14HDAC1HDAC2HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO claimed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO disclosed