SCHEMBL6955076

SCHEMBL6955076

CCOC(=O)C(Cc1ccc(OCCn2c(=O)c3ccccc3n(C)c2=O)cc1)OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
PPARG P37231 11/20 0.54
PPARD Q03181 1/20 0.54
TNF P01375 1/20 0.51
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6956426 0.90 PPARG (0.59) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL6951283 0.82 PPARA (0.54) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL6952900 0.79 TNF (0.48) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL7527968 0.78 PPARG (0.82) PPARAPPARGPPARD
SCHEMBL7527971 0.78 PPARG (0.82) PPARAPPARGPPARD
SCHEMBL6952391 0.77 PPARG (0.46) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL6956161 0.77 PPARG (0.46) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL6952396 0.77 MEN1 (0.46) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL6953586 0.76 TNF (0.51) PPARAPPARGPPARDTNFALDH1A1
SCHEMBL6948934 0.76 MEN1 (0.45) PPARAPPARGPPARDTNFALDH1A1

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