SCHEMBL855294

SCHEMBL855294

O=C1OCc2c(Cl)cc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
NOTUM Q6P988 2/20 0.38
ALOX5 P09917 4/20 0.37
EPAS1 Q99814 1/20 0.34
KCNJ1 P48048 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL855545 0.81 TGM2 (0.40) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855719 0.81 ALOX5 (0.42) MAOAMAOBALOX5
SCHEMBL2044970 0.78 LMNA (0.41) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855164 0.78 MAOA (0.38) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855171 0.76 ALOX5 (0.36) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL861759 0.74 MAOA (0.38) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL14727441 0.74 MAOA (0.38) MAOAMAOBALOX5KCNJ1
SCHEMBL855938 0.73 ALOX5 (0.39) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL2049186 0.73 PGR (0.41) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL29947934 0.73 PGR (0.41) MAOAMAOBALOX5KCNJ1LMNA

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
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed