SCHEMBL8733183

SCHEMBL8733183

[CH2]CCCc1ccc(OCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
LTA4H P09960 1/20 0.46
ACACB O00763 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7295478 0.94 LMNA (0.55) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL57081 0.91 LMNA (0.56) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL11042252 0.89 LMNA (0.59) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL7342923 0.89 LMNA (0.54) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL9641445 0.89 LMNA (0.59) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL10567859 0.88 LMNA (0.62) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL10568914 0.86 LMNA (0.63) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL18896254 0.86 LMNA (0.61) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL6470736 0.86 LTA4H (0.53) LMNAL3MBTL1MEN1CYP3A4MAPK1
SCHEMBL1353239 0.86 ALDH1A1 (0.63) LMNAMEN1USP2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed