SCHEMBL8978079

SCHEMBL8978079

COC(=O)c1cc(O)cc(C(=O)Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.73
CA1 P00915 5/20 0.73
CA2 P00918 5/20 0.73
CA7 P43166 5/20 0.73
CA9 Q16790 5/20 0.73
CA14 Q9ULX7 5/20 0.73
KDM4E B2RXH2 6/20 0.53
LMNA P02545 4/20 0.53
XDH P47989 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.44

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
SCHEMBL4531505 0.92 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL46504 0.89 CA12 (0.91) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.85 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL11705603 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5226850 0.82 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5227070 0.82 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28312240 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL30821970 0.82 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL17274803 0.82 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL2624952 0.82 CA12 (0.76) CA12CA1CA2CA7CA9

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-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed
WO-1995001966-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.P.A. (IT) 1995-01-19 WO disclosed