SCHEMBL28811343

SCHEMBL28811343

CC(CCN1CC=C(c2ccc(C#CCOCCCO)cc2)CC1)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KCNA3 P22001 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20025239 0.93 DRD2 (0.38) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989701 0.92 PPARG (0.37) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989691 0.91
SCHEMBL28811903 0.89 DRD2 (0.46) PPARGPPARADRD2DRD4DRD3
SCHEMBL28811383 0.88 DRD2 (0.46) PPARGPPARADRD2DRD4DRD3
SCHEMBL28810925 0.88 PPARG (0.43) PPARGPPARADRD2DRD4DRD3
SCHEMBL28810919 0.87 DRD2 (0.44) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989565 0.84 DRD2 (0.43) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989622 0.81 DRD3 (0.42) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989590 0.81 DRD2 (0.41) PPARGPPARADRD2DRD4DRD3

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-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed