SCHEMBL8546351

SCHEMBL8546351

CC(C)(CCOc1ccc(C(N)O)cc1)CCOc1ccc(C(N)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11786262 0.80 LTA4H (0.52) SLC2A1ACACBACACASMN1; SMN2L3MBTL1
SCHEMBL6254887 0.74 CYP3A4 (0.46) SMN1; SMN2CYP3A4PPARAGAAL3MBTL1
SCHEMBL27819494 0.72 L3MBTL1 (0.46) TDP1PPARAL3MBTL1
Hydrochloric Acid SCHEMBL28128014 0.71 L3MBTL1 (0.45) TDP1PPARAPOLBL3MBTL1
SCHEMBL23539455 0.70 APP (0.45) SMN1; SMN2CYP3A4PPARA
SCHEMBL6893076 0.69 CYP3A4 (0.46) SMN1; SMN2CYP3A4PPARAGAAL3MBTL1
SCHEMBL8546797 0.69 MAPT (0.47) SLC2A1L3MBTL1
SCHEMBL8546355 0.69 ALDH1A1 (0.45) SMN1; SMN2CYP3A4GAA
SCHEMBL6255661 0.69 HRH3 (0.49) SMN1; SMN2CYP3A4PPARAGAAL3MBTL1
SCHEMBL21585201 0.69 AOC3 (0.55) SLC2A1TDP1CYP3A4L3MBTL1

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