SCHEMBL28060901

SCHEMBL28060901

CC(C)(C)NCC(=O)O.O=PO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CTH P32929 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL41886 0.89
SCHEMBL1717828 0.89 HMGCR (0.41) DPP4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL17559271 0.87 HMGCR (0.39) DPP4HMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL28883817 0.87 HMGCR (0.39) DPP4HMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL1092821 0.87 HMGCR (0.39) DPP4HMGCRCHRM1TBXA2RADRA1A
Methane SCHEMBL27575418 0.87 HMGCR (0.39) DPP4HMGCRCHRM1TBXA2RADRA1A
Acetic Acid SCHEMBL20839531 0.84 CTH (0.42) DPP4HMGCRCHRM1TBXA2RADRA1A
Hydrogen Sulfide SCHEMBL27991575 0.78 EGLN1 (0.37) DPP4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8654274 0.76 DPP4 (0.33) DPP4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL14805819 0.76 EGLN1 (0.40) DPP4CTHEGLN1ALDH1A1LMNA

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
CN-103917488-B Anode material with oxygen vacancy and preparation method thereof ADVANCED LITHIUM ELECTROCHEMISTRY CO.,LTD. (CN) 2016-06-01 CN disclosed