SCHEMBL5288850

SCHEMBL5288850

NC(CCCc1nccc(O)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.43
NOS1 P29475 3/20 0.41
GSR P00390 1/20 0.39
GRIK1 P39086 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ARG2 P78540 3/20 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
SCHEMBL7390765 0.91 ARG1 (0.38) ARG1GRIK1
SCHEMBL5282144 0.85 ARG1 (0.46) ARG1NOS1GSRGRIK1POLB
SCHEMBL5285445 0.81 SLC7A5 (0.46) POLBKMT2ATDP1
SCHEMBL4624268 0.76 ARG1 (0.41) ARG1GRIK1
SCHEMBL27874254 0.72 ALDH1A1 (0.37) ARG1GRIK1
SCHEMBL5285402 0.71 ARG1 (0.44) ARG1GSRGRIK1KMT2A
SCHEMBL2352046 0.70 GRIK1 (0.54) ARG1NOS1GSRGRIK1
SCHEMBL2352037 0.70 GRIK1 (0.54) ARG1NOS1GSRGRIK1
SCHEMBL28078253 0.70 CYP1A2 (0.55) ARG1NOS1GRIK1POLBKMT2A
SCHEMBL28078250 0.70 CYP1A2 (0.55) ARG1NOS1GRIK1POLBKMT2A

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-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed