SCHEMBL6948887

SCHEMBL6948887

CCSC(Cc1ccc(OCCN2CCc3ccccc3C2=O)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
DRD3 P35462 3/20 0.40
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
AOC3 Q16853 3/20 0.39
PPARA Q07869 3/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37

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 0.84 PPARG (0.55) PPARGPPARA
SCHEMBL6954989 0.84 PPARG (0.41) PPARGDRD3ITGB3ITGA2BAOC3
SCHEMBL6952072 0.84 PPARG (0.47) PPARGDRD3ITGB3ITGA2BPPARA
SCHEMBL6953968 0.83 PPARG (0.35) PPARGPPARAMAPT
SCHEMBL8300709 0.81 DRD3 (0.41) PPARGDRD3ITGB3ITGA2BAOC3
SCHEMBL8301557 0.81 NPC1 (0.43) PPARGPPARA
SCHEMBL6956717 0.80 PPARG (0.66) PPARGPPARA
SCHEMBL6949400 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6949408 0.78 PPARG (0.53) PPARGPPARA
SCHEMBL6947127 0.76 ALDH1A1 (0.40) PPARGPPARAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed