SCHEMBL8733178

SCHEMBL8733178

CCCOc1ccc(CCCCOc2cc[c]cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
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
FFAR1 O14842 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ACACB O00763 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
NR5A1 Q13285 1/20 0.42

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
SCHEMBL10537554 0.90 ALDH1A1 (0.49) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL10567859 0.88 LMNA (0.62) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL10568914 0.86 LMNA (0.63) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL127508 0.84 LTA4H (0.50) LMNAL3MBTL1MEN1ALDH1A1MAPK1
SCHEMBL1617384 0.82 LMNA (0.69) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL19043274 0.82 LMNA (0.69) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL27447908 0.82 ALDH1A1 (0.68) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL18896254 0.82 LMNA (0.61) LMNAL3MBTL1MEN1USP2ALDH1A1
SCHEMBL49992 0.82 LTA4H (0.55) CYP3A4SMN1; SMN2NR5A1
Hydrochloric Acid SCHEMBL11672969 0.82 LTA4H (0.48) LMNAL3MBTL1MEN1ALDH1A1MAPK1

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