SCHEMBL861759

SCHEMBL861759

O=C1OCc2c1cc(F)c(Cl)c2Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
ALOX5 P09917 4/20 0.37
KCNJ1 P48048 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TYMS P04818 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL855938 0.81 ALOX5 (0.39) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855133 0.78 KCNJ1 (0.44) MAOAMAOBKCNJ1LMNAGAA
SCHEMBL30365884 0.78 KCNJ1 (0.44) MAOAMAOBKCNJ1LMNAGAA
SCHEMBL854099 0.77 ALOX5 (0.39) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL15680228 0.76 ALOX5 (0.36) MAOAMAOBALOX5
SCHEMBL855171 0.76 ALOX5 (0.36) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855294 0.74 MAOA (0.38) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL855545 0.73 TGM2 (0.40) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL23496800 0.73 MAPT (0.40) MAOAMAOBALOX5KCNJ1LMNA
SCHEMBL23513237 0.73 KCNJ1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433933-B1 PRODUCTION METHOD OF TRI- OR TETRAHALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL CO (JP) 2019-05-08 EP disclosed
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