SCHEMBL8733161

SCHEMBL8733161

CCSc1ccccc1C[CH]c1ccccc1SC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRM2 P08172 1/20 0.34
BACE1 P56817 1/20 0.34
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4436796 0.74 HPGD (0.36) LMNAALDH1A1HTTRXFP1ALOX15
SCHEMBL10144166 0.72 ALDH1A1 (0.47) LMNAALDH1A1HTTKDM4EGLA
SCHEMBL5405571 0.71 ALDH1A1 (0.33) LMNAALDH1A1HTTKDM4EGLA
SCHEMBL3027067 0.71 HPGD (0.36) LMNAALDH1A1HTTKDM4EGLA
SCHEMBL14507031 0.70 GABRA1 (0.41) LMNAALDH1A1HTTRXFP1BACE1
SCHEMBL9988198 0.69 APOBEC3G (0.37) LMNAALDH1A1HTTKDM4EGLA
SCHEMBL4800076 0.68 ALOX5 (0.43) LMNAALDH1A1HTTKDM4ERXFP1
SCHEMBL7362224 0.67 APOBEC3G (0.61) LMNAALDH1A1HTTALOX15TSHR
SCHEMBL3842830 0.67 SLC6A2 (0.46) LMNAALDH1A1HTTKDM4EGLA
SCHEMBL7674655 0.67 HPGD (0.39) LMNAALDH1A1HTTRXFP1ALOX15

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