SCHEMBL6950736

SCHEMBL6950736

CCOC(C)(Cc1ccc(OCCN2CCc3ccccc3C2=O)cc1)C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.39
LTA4H P09960 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDK2 Q15119 1/20 0.37
DRD1 P21728 3/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL6952907 0.83 TP53 (0.40) LTA4HMEN1KMT2APPARGPPARA
SCHEMBL8306718 0.82 NPC1 (0.41) LTA4HMEN1KMT2APPARGPPARA
SCHEMBL6949400 0.75 PPARG (0.54) PPARGPPARA
SCHEMBL6956717 0.75 PPARG (0.66) PPARGPPARA
SCHEMBL6949408 0.74 PPARG (0.53) PPARGPPARA
SCHEMBL6948643 0.74 PPARG (0.55) PPARGPPARA
SCHEMBL6950757 0.73 TNF (0.45) MEN1KMT2APPARGPPARA
SCHEMBL7105914 0.73 ALDH1A1 (0.47) MEN1KMT2APPARG
SCHEMBL6954989 0.73 PPARG (0.41) DRD3PPARGPPARAITGB3ITGA2B
SCHEMBL7107216 0.73 TSHR (0.48) MEN1KMT2APPARGPPARA

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