SCHEMBL8730296

SCHEMBL8730296

[CH2]CC(CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
ACP3 P15309 1/20 0.46
HTT P42858 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20921403 0.84 TSHR (0.48) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL3060638 0.84 L3MBTL1 (0.51) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL3050984 0.84 TSHR (0.48) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL11810361 0.81 KMT2A (0.57) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL8125876 0.81 POLB (0.51) LMNAL3MBTL1MEN1HPGDKMT2A
SCHEMBL14528939 0.81 L3MBTL1 (0.48) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL9918837 0.81 PYCR1 (0.46) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL7349213 0.81 POLB (0.51) LMNAL3MBTL1MEN1HPGDKMT2A
SCHEMBL6903563 0.81 POLB (0.51) LMNAL3MBTL1MEN1HPGDKMT2A
SCHEMBL9918209 0.81 HTT (0.45) TSHRLMNAL3MBTL1MEN1HPGD

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