SCHEMBL8733409

SCHEMBL8733409

[CH2]CCCCCc1ccc(OCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLCO1B3 Q9NPD5 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
NR5A1 Q13285 1/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PLA2G4A P47712 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
TP53 P04637 4/20 0.49

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
SCHEMBL7465256 1.00 LMNA (0.61) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL58833 1.00 LMNA (0.61) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL6200177 1.00 LMNA (0.61) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL6199890 0.98 MEN1 (0.59) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL7321345 0.95 LMNA (0.65) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL7329668 0.95 LMNA (0.65) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL1353239 0.95 ALDH1A1 (0.63) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL11042252 0.95 LMNA (0.59) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL6324073 0.95 LMNA (0.55) LMNAALDH1A1CYP3A4MEN1USP2
SCHEMBL57081 0.93 LMNA (0.56) LMNAALDH1A1CYP3A4MEN1USP2

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