SCHEMBL6951298

SCHEMBL6951298

CCCSC(Cc1ccc(OCCN2COc3ccccc3C2=O)cc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.39
PPARA Q07869 7/20 0.39
PPARD Q03181 1/20 0.35
ADAM17 P78536 2/20 0.34
MAPT P10636 1/20 0.34
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PDE4A P27815 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6952568 0.85 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6952576 0.84 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL6954155 0.78 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6956385 0.78 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL7248373 0.77 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL6948917 0.77 PPARG (0.40) PPARGPPARAPPARDHPGDNPSR1
SCHEMBL7248494 0.77 PPARG (0.52) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL6944979 0.77 PPARG (0.41) PPARGPPARAPPARDHPGDNPSR1
SCHEMBL6948555 0.76 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL7248465 0.74 PPARG (0.47) PPARGPPARAPPARD

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