SCHEMBL6950699

SCHEMBL6950699

CCOC(Cc1ccc(CCCN2CCc3ccccc3C2=O)cc1)C(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
DRD3 P35462 11/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 1/20 0.40
DRD1 P21728 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.39
PPARA Q07869 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
SCHEMBL6956670 0.88 PPARG (0.43) PPARGDRD3DRD2DRD4DRD1
SCHEMBL6950469 0.81 DRD3 (0.46) PPARGDRD3DRD2DRD4DRD1
SCHEMBL6949400 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6956717 0.76 PPARG (0.66) PPARGPPARA
SCHEMBL6948643 0.75 PPARG (0.55) PPARGPPARA
SCHEMBL6955902 0.74 PPARG (0.42) PPARGMEN1KMT2APPARA
SCHEMBL6949408 0.74 PPARG (0.53) PPARGPPARA
SCHEMBL6952012 0.70 PPARG (0.38) PPARGPPARA
SCHEMBL31134854 0.69 GRM5 (0.64) DRD3DRD2DRD4DRD1GRM5
SCHEMBL5811132 0.69 GRM5 (0.64) DRD3DRD2DRD4DRD1GRM5

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