SCHEMBL28699757

SCHEMBL28699757

CCC(CSP(=O)(OC(C)C)OC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GCLC P48506 1/20 0.35
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1605068 0.81 ALDH1A1 (0.35) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL15722832 0.80 GABRR1 (0.33) TDP1LAP3
SCHEMBL20107503 0.74 CTSA (0.36)
SCHEMBL28394485 0.69 TSHR (0.39) TDP1TSHR
SCHEMBL21732691 0.69 TSHR (0.32) TDP1TSHR
SCHEMBL21732708 0.69 TSHR (0.32) TDP1TSHR
SCHEMBL8580240 0.68
SCHEMBL22557968 0.66 CA2 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL7030753 0.66 LMNA (0.37) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL6114 0.65

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-113906070-A Acrylate copolymer, method for producing the copolymer, friction inhibitor comprising the copolymer, and lubricating oil composition containing the friction inhibitor 株式会社ADEKA 2022-01-07 CN disclosed