SCHEMBL6956266

SCHEMBL6956266

CCCSC(CC)(C(=O)OCC)C(=O)OCc1ccc(OCCN2COc3ccccc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.34
PPARG P37231 4/20 0.34
LTA4H P09960 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 1/20 0.31
ASAH1 Q13510 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 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
SCHEMBL6950918 0.86 PPARG (0.36) PPARAPPARGLTA4HHPGDMAPT
SCHEMBL6949965 0.77 PPARA (0.35) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL6955185 0.76 LTA4H (0.37) PPARAPPARGLTA4HHPGDMAPT
Hydrochloric Acid SCHEMBL6944979 0.75 PPARG (0.41) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL7248494 0.75 PPARG (0.52) PPARAPPARG
SCHEMBL6948917 0.73 PPARG (0.40) PPARAPPARGLTA4HHPGDNPSR1
SCHEMBL6951298 0.73 PPARG (0.39) PPARAPPARGHPGDMAPTNPSR1
SCHEMBL6956385 0.72 PPARG (0.42) PPARAPPARGALDH1A1
SCHEMBL7248373 0.72 PPARG (0.62) PPARAPPARG
SCHEMBL7250197 0.72 NR1H4 (0.40) HPGDMAPTNPSR1ALDH1A1MEN1

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