SCHEMBL1735987

SCHEMBL1735987

C=C(C)C(=O)OCCNC(=O)Nc1cc(S(N)(=O)=O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 20/20 0.57
CA1 P00915 20/20 0.57
CA9 Q16790 20/20 0.57
CA2 P00918 18/20 0.57

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
SCHEMBL1734745 0.84 CA2 (0.56) CA12CA1CA9CA2
SCHEMBL3254727 0.84 GAA (0.43) CA12CA1CA9CA2
SCHEMBL3251760 0.80 HDAC1 (0.54) CA12CA1CA9CA2
SCHEMBL3252701 0.80 MARS1 (0.44)
SCHEMBL1734809 0.76 POLB (0.45) CA12CA1CA9CA2
SCHEMBL13604241 0.76 NAMPT (0.48) CA12CA1CA9CA2
SCHEMBL21950062 0.75 NAMPT (0.46) CA12CA1CA9CA2
SCHEMBL3256209 0.75 CA2 (0.42) CA12CA1CA9CA2
SCHEMBL30788323 0.74 CA2 (0.41) CA12CA1CA9CA2
SCHEMBL8537202 0.74 AAK1 (0.41)

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
EP-2251195-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2011-11-16 EP disclosed
US-20110265148-A1 SYSTEM AND METHOD FOR CREATING A SECURE TRUSTED SOCIAL NETWORK TAM CHUNG MING 2011-10-27 US disclosed
EP-2251195-A1 Lithographic printing plate precursor Fujifilm Corporation (JP) 2010-11-17 EP disclosed