SCHEMBL6945038

SCHEMBL6945038

CCOC(Cc1ccc(CCCN2COc3cc(C)ccc3C2=O)cc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.35
PPARG P37231 11/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
TNF P01375 1/20 0.33
PPARD Q03181 1/20 0.32

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
SCHEMBL6956751 0.92 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL6952957 0.90 PPARA (0.41) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL6953775 0.88 PPARG (0.41) PPARAPPARG
SCHEMBL6955902 0.81 PPARG (0.42) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL6956670 0.74 PPARG (0.43) PPARGMEN1KMT2A
SCHEMBL6952012 0.73 PPARG (0.38) PPARAPPARGPPARD
SCHEMBL6952263 0.73 PPARA (0.42) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL6957490 0.73 PPARG (0.55) PPARAPPARGPPARD
SCHEMBL6956469 0.72 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL8575685 0.72 CYP19A1 (0.39)

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