SCHEMBL8301343

SCHEMBL8301343

CCC1=C(C)CN(CCOc2ccc(CC(NC(C)C)C(N)=O)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HRH1 P35367 1/20 0.39
ACACB O00763 3/20 0.38
PPARG P37231 2/20 0.37
ADAM17 P78536 1/20 0.36
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 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
SCHEMBL8307026 0.91 ITGB1 (0.41) ACACBPPARGITGB3ITGA2BITGB1
SCHEMBL8302577 0.83 PPARG (0.41) PPARG
SCHEMBL8306803 0.78 PPARG (0.52) PPARG
SCHEMBL8304445 0.77 PPARA (0.42) PPARG
SCHEMBL8446636 0.73 PPARG (0.38) HRH3HRH1ACACBPPARG
SCHEMBL6956161 0.72 PPARG (0.46) PPARG
SCHEMBL8306723 0.71 PARP1 (0.36) PPARG
SCHEMBL8308029 0.69 PARP1 (0.36)
SCHEMBL8306160 0.68 PPARG (0.46) PPARG
SCHEMBL8302608 0.68 NPC1 (0.43) HRH3HRH1PPARGITGB3ITGA2B

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
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed