SCHEMBL28444366

SCHEMBL28444366

O=C(OCc1ccccc1)N(CO)C1CCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SIGMAR1 Q99720 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR5 P51681 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL4964527 0.89 CCR5 (0.47) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL28523905 0.85 ENPP2 (0.51) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL4807302 0.81 PTGDR2 (0.46) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL4807309 0.81 PTGDR2 (0.46) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL4805068 0.80 CCR5 (0.55) ENPP2SIGMAR1CCR5L3MBTL1
SCHEMBL4805070 0.80 CCR5 (0.55) ENPP2SIGMAR1CCR5L3MBTL1
SCHEMBL6166891 0.79 ENPP2 (0.48) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL32691106 0.78 CCR6 (0.46) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL4785540 0.78 ALDH1A1 (0.50) ENPP2ALDH1A1SIGMAR1CHRM2CHRM5
SCHEMBL4803005 0.77 CCR5 (0.52) ENPP2CCR5

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-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN disclosed