SCHEMBL9254614

SCHEMBL9254614

O=C(C1=COc2cc(O)ccc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
FAAH O00519 1/20 0.41
DPP8 Q6V1X1 4/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.38
SMAD3 P84022 1/20 0.37

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
SCHEMBL9257899 0.96 ALDH1A1 (0.42) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9261899 0.89 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTRECQL
SCHEMBL9260454 0.88 MGLL (0.39) MGLLCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL9254998 0.87 ALDH1A1 (0.51) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9257887 0.87 MGLL (0.41) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9256320 0.87 MGLL (0.45) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9263304 0.86 MGLL (0.47) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9256417 0.85 CA12 (0.43) MGLLALDH1A1LMNA
SCHEMBL9259528 0.84 MGLL (0.45) MGLLALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL9264047 0.83 MGLL (0.44) MGLLALDH1A1CACNA2D1CACNA1BCACNB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US claimed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP claimed
JP-6329665-A None JP disclosed
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
JP-H06329665-A NOVEL SUBSTITUTED BENZODIOXINS, THEIR PREPARATION AND MEDICAL COMPOSITION CONTAINING THEM ADIR 1994-11-29 JP disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed