SCHEMBL8545693

SCHEMBL8545693

CN(C)c1cc(Oc2ccc(C(N)O)cc2)cc(Oc2ccc(C(N)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
ST14 Q9Y5Y6 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 3/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ATM Q13315 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
SCHEMBL8545695 0.81 SMN1; SMN2 (0.44) ST14ALDH1A1SMN1; SMN2AOC3MEN1
SCHEMBL8547791 0.77 CARM1 (0.43) ST14ALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8544288 0.77 ST14 (0.40) ST14ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14217867 0.69 ACHE (0.54) SLC2A1ALDH1A1SMN1; SMN2HPGDHSD17B1
SCHEMBL8551347 0.69 SLC6A4 (0.45) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8546637 0.69 CYP2A6 (0.57) ALDH1A1SMN1; SMN2HPGD
SCHEMBL8545697 0.69 ST14 (0.42) ST14ALDH1A1SMN1; SMN2HSD17B1HSD17B2
SCHEMBL10349728 0.69 SLC2A1 (0.74) SLC2A1ALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL12260797 0.68 ENPP2 (0.59) SLC2A1ALDH1A1SMN1; SMN2HPGDHSD17B1
SCHEMBL21585201 0.68 AOC3 (0.55) SLC2A1ALDH1A1AOC3PRSS1PRSS2

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed