SCHEMBL28051114

SCHEMBL28051114

CCC(C(=O)O)C(C)(N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
SLC1A3 P43003 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9519201 0.85 CA2 (0.38) CA2MAPK1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL7363118 0.83 CA2 (0.37) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL24525810 0.81 CA2 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL276534 0.79 CA2 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL2631146 0.79 CA2 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL12891264 0.79 CA2 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL10567431 0.78 SLC1A3 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL28428305 0.78 SLC1A3 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL15346515 0.78 CYP2D6 (0.38) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL4578586 0.77 CA2 (0.39) CA2MAPK1SLC1A2SLC1A1SLC1A3

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-103820019-B Aqueous polyurethane Stripable paint and preparation method thereof SERVTEK MATERIAL TECHNOLOGY CO., LTD. (CN) 2016-02-17 CN disclosed