SCHEMBL6950697

SCHEMBL6950697

COc1cc2c(=O)n(CCOc3ccc(CC(OC(C)C)C(N)=O)cc3)c(=O)n(C)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.43
PPARG P37231 8/20 0.40
PPARD Q03181 2/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
ADRA1B P35368 1/20 0.37
BRPF1 P55201 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6955523 0.92 PPARA (0.46) PPARAPPARGPPARDMAPT
SCHEMBL6951283 0.79 PPARA (0.54) PPARAPPARGPPARDMAPTRXFP1
SCHEMBL6956426 0.77 PPARG (0.59) PPARAPPARGPPARDMEN1NPC1
SCHEMBL6955076 0.75 PPARA (0.54) PPARAPPARGPPARDRXFP1MEN1
SCHEMBL6949766 0.74 PPARG (0.46) PPARAPPARGPPARDGAAMAPT
SCHEMBL6956161 0.70 PPARG (0.46) PPARAPPARGPPARDGAARXFP1
SCHEMBL6952391 0.70 PPARG (0.46) PPARAPPARGPPARDGAARXFP1
SCHEMBL8446636 0.70 PPARG (0.38) PPARAPPARGPPARD
SCHEMBL6956263 0.70 PPARG (0.45) PPARAPPARGPPARDRAB9A
SCHEMBL6955465 0.69 MAPK1 (0.59) GAAMAPTMEN1NPC1ALDH1A1

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