SCHEMBL27906013

SCHEMBL27906013

NCCOC1=CCOC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LTA4H P09960 2/20 0.32
PLA2G2A P14555 1/20 0.32
HTR1B P28222 1/20 0.31
CHRM1 P11229 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8392272 0.79 MAPK1 (0.36) LTA4HCHRM1MAPK1
SCHEMBL7867591 0.78 MEN1 (0.37) LTA4HPLA2G2ATP53MAPK1
SCHEMBL27568866 0.77
SCHEMBL2313057 0.76
SCHEMBL8701732 0.67 LTA4H (0.42) LTA4H
SCHEMBL26007961 0.65
SCHEMBL10392930 0.64
SCHEMBL26007867 0.64
SCHEMBL26007963 0.63
SCHEMBL26007869 0.63 ALDH1A1 (0.35) KDM4E

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-102093319-B 3-aryl-4-(2-glycosyl/amino ethyoxyl)-2(5H)-furanone compound, preparation method thereof and application thereof UNIV JISHOU 2013-01-23 CN claimed