SCHEMBL455082

SCHEMBL455082

CCCc1cccc(CCC)c1C(=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PPARA Q07869 2/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL31465673 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL12503746 0.78 BID (0.47) MAPTPPARABIDMCL1BCL2L1
SCHEMBL457876 0.77 BID (0.42) CA12MAPTPPARABIDMCL1
SCHEMBL5528116 0.75 GPR35 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14605537 0.75 CES2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1736009 0.74 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL5162912 0.74 BID (0.59) MAPTPPARABIDMCL1BCL2L1
SCHEMBL458248 0.73 NR1H2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL28329194 0.72 TSHR (0.47) ALDH1A1MAPTCYP4F2CYP4A11MEN1
SCHEMBL28355498 0.71 TSHR (0.55) ALDH1A1MAPTCYP4F2CYP4A11MEN1

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-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed