SCHEMBL9254577

SCHEMBL9254577

O=C(C1=COc2cc(O)ccc2O1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
NPC1 O15118 1/20 0.47
MGLL Q99685 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9261873 0.89 MEN1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9253316 0.83 LTB4R (0.56) MGLLGRIN2B
SCHEMBL9261899 0.80 ALDH1A1 (0.55) SMN1; SMN2MEN1LMNATSHRMAPK1
SCHEMBL9253329 0.79 SCD5 (0.46) KMT2AL3MBTL1ALDH1A1CA12CA2
SCHEMBL9257855 0.76 KDM4E (0.50) MEN1TSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL9256417 0.76 CA12 (0.43) SMN1; SMN2LMNAMAPK1L3MBTL1ALDH1A1
SCHEMBL9257657 0.75 HPGD (0.47) SMN1; SMN2MEN1TSHRKMT2AALDH1A1
SCHEMBL9261915 0.73 KDM4E (0.52) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL4486386 0.73 KDM4E (0.78) SMN1; SMN2MEN1LMNATSHRMAPK1
SCHEMBL9254614 0.72 MGLL (0.43) LMNAKMT2AALDH1A1MGLL

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 disclosed
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