SCHEMBL6952116

SCHEMBL6952116

CCSC(Cc1ccc(C(=O)CCCN2CN(C)c3cc(C)ccc3C2=O)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
S1PR5 Q9H228 3/20 0.34
HSD11B1 P28845 1/20 0.32
TNF P01375 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CYP2J2 P51589 3/20 0.31
TPH1 P17752 2/20 0.31

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
SCHEMBL6953255 0.79 PPARA (0.43) HSD11B1PPARGPPARDPPARA
SCHEMBL6952423 0.77 PPARG (0.34) ALDH1A1PPARGPPARDPPARA
SCHEMBL6948070 0.65 TP53 (0.35) ALDH1A1LMNAMAPTKMT2APPARG
SCHEMBL6951661 0.61 PPARA (0.41) PPARGPPARDPPARA
SCHEMBL24798048 0.58 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2A
SCHEMBL2762921 0.56 THRA (0.45) S1PR5LMNAMAPTCYP2J2
SCHEMBL28342825 0.55 KMT2A (0.55) MAPTKMT2A
SCHEMBL9419411 0.55 KMT2A (0.69) ALDH1A1LMNAMAPTKMT2A
SCHEMBL918486 0.55 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2A
SCHEMBL10767977 0.54 ALDH1A1 (0.55) DRD4DRD3ALDH1A1LMNAMAPT

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