SCHEMBL28028957

SCHEMBL28028957

CC(C)C1CCN(O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
APEX1 P27695 1/20 0.50
ENO1 P06733 2/20 0.45
DPP4 P27487 2/20 0.35
TLR4 O00206 2/20 0.35
PER2 O15055 2/20 0.35
CRY2 Q49AN0 2/20 0.35
PIK3CD O00329 1/20 0.34
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28924468 0.85 ENO1 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL9827923 0.79 CYP3A4 (0.52) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL30613298 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18883353 0.74 MAPK1 (0.37) DPP4TLR4PER2CRY2PIK3CD
SCHEMBL18821187 0.74 MAPK1 (0.37) DPP4TLR4PER2CRY2PIK3CD
SCHEMBL9251987 0.74 MAPK1 (0.37) DPP4TLR4PER2CRY2PIK3CD
SCHEMBL2625814 0.73 DPP4 (0.39) MAPTDPP4TLR4PER2CRY2
SCHEMBL18883354 0.73 DPP4 (0.39) MAPTDPP4TLR4PER2CRY2
SCHEMBL18821184 0.73 DPP4 (0.39) MAPTDPP4TLR4PER2CRY2
SCHEMBL8222968 0.72 DPP4 (0.33) CYP3A4TSHRTDP1MAPTAPEX1

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-104961847-A Synthesis method of annular rigid liquid crystal polymer UNIV XIANGTAN 2015-10-07 CN disclosed