SCHEMBL8301292

SCHEMBL8301292

CCC1=C(C)CN(CCCc2ccc(CC(OC(C)C)C(=O)O)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.37
PPARA Q07869 16/20 0.37
PPARD Q03181 4/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL8306723 0.91 PARP1 (0.36) PPARGPPARAPARP1PARP2
SCHEMBL8306299 0.82 MMP2 (0.35) PPARGPPARAPPARDPARP1PARP2
SCHEMBL8302072 0.77 NAAA (0.32) PPARGPPARAPARP1PARP2
SCHEMBL8308029 0.77 PARP1 (0.36) PARP1PARP2
SCHEMBL8308031 0.76 PARP1 (0.35) PARP1PARP2
SCHEMBL8306160 0.76 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL8306803 0.76 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL8302026 0.75 SLC6A2 (0.39) PPARGPPARA
SCHEMBL8307026 0.70 ITGB1 (0.41) PPARGPPARA
SCHEMBL8302577 0.69 PPARG (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed