SCHEMBL8300709

SCHEMBL8300709

CCC(Cc1ccc(OCCN2CCc3ccccc3C2=O)cc1)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.41
PPARG P37231 4/20 0.40
AOC3 Q16853 3/20 0.40
PPARA Q07869 1/20 0.40
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ACHE P22303 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
SCHEMBL6948643 0.82 PPARG (0.55) PPARGPPARA
SCHEMBL6953973 0.82 HPGD (0.35) PPARGPPARA
SCHEMBL6948887 0.81 PPARG (0.41) DRD3PPARGAOC3PPARADRD2
SCHEMBL6954989 0.81 PPARG (0.41) DRD3PPARGAOC3PPARAITGB3
SCHEMBL6952072 0.81 PPARG (0.47) DRD3PPARGPPARAITGB3ITGA2B
SCHEMBL6956717 0.79 PPARG (0.66) PPARGPPARA
SCHEMBL6949400 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6949408 0.77 PPARG (0.53) PPARGPPARA
SCHEMBL6947132 0.75 ALDH1A1 (0.41) PPARGPPARA
SCHEMBL6956839 0.75 PPARA (0.34) PPARGPPARA

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