SCHEMBL6479474

SCHEMBL6479474

NCCCC[C@H](NC(F)F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.53
GSR P00390 1/20 0.48
RNPEP Q9H4A4 1/20 0.47
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CPB2 Q96IY4 9/20 0.43
SLC6A5 Q9Y345 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACE P12821 1/20 0.38
GGT1 P19440 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
SCHEMBL6479470 1.00 FOLH1 (0.53) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL8734 0.94 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL8735 0.94 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL2873029 0.94 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL1560135 0.92 FOLH1 (0.45) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL1560136 0.92 FOLH1 (0.45) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL21933053 0.91 FOLH1 (0.44) FOLH1GSRRNPEPMMP2MMP9
Ornithine SCHEMBL3820639 0.86 GSR (0.56) FOLH1GSR
SCHEMBL7198450 0.85 FOLH1 (0.50) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL1443500 0.84 FOLH1 (0.56) FOLH1GSRRNPEPMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005067980-A2 DESIGN OF THERAPEUTICS AND THERAPEUTICS POINTILLISTE, INC. (US) 2005-07-28 WO disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed