SCHEMBL4302076

SCHEMBL4302076

CCOC(=O)CC(CC(=O)O)C[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CPA1 P15085 2/20 0.35
ALDH1A1 P00352 5/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
MITF O75030 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL1664773 0.83 MAPT (0.38) MAPTLMNAKDM4EMGAMGAA
SCHEMBL29021009 0.82 MAPT (0.37) MAPTLMNAKDM4EMGAMGAA
SCHEMBL2912395 0.82 CPA1 (0.45) MAPTLMNAKDM4EMGAMGAA
SCHEMBL1228652 0.82 CPA1 (0.45) MAPTLMNAKDM4EMGAMGAA
SCHEMBL1410099 0.82 CPA1 (0.45) MAPTLMNAKDM4EMGAMGAA
SCHEMBL5105701 0.81 TSHR (0.41) MAPTLMNAKDM4EMGAMGAA
SCHEMBL3121387 0.80 KDM4E (0.39) MAPTLMNAKDM4EMGAMGAA
SCHEMBL5492736 0.78 CYP2D6 (0.35) MAPTLMNAKDM4EMGAMGAA
SCHEMBL29632440 0.78 TLR4 (0.41) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL17079711 0.78 TLR4 (0.41) MAPTLMNAKDM4EALDH1A1TSHR

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-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed