SCHEMBL9254933

SCHEMBL9254933

COc1ccc(CN2CCN(C(=O)C3COc4ccc(O)cc4O3)CC2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
AIMP2 Q13155 1/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL9256464 0.81 KMT2A (0.59) KMT2ATSHRALDH1A1SMN1; SMN2PKM
SCHEMBL9261915 0.75 KDM4E (0.52) KMT2ACYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9259044 0.73 KMT2A (0.61) KMT2ATSHRALDH1A1SMN1; SMN2AIMP2
SCHEMBL9262598 0.73 CYP2C19 (0.48) KMT2ACYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9264486 0.72 MEN1 (0.48) KMT2ATSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9308618 0.71 KDM4E (0.53) KMT2ATSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9307946 0.70 ALDH1A1 (0.49) KMT2ATSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9309115 0.70 ALDH1A1 (0.49) KMT2ATSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28298203 0.70 CHRM2 (0.79) KMT2ATSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9410571 0.69 ALDH1A1 (0.54) KMT2ACYP2C19ALDH1A1SMN1; SMN2KDM4E

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-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US claimed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed