SCHEMBL13433237

SCHEMBL13433237

COc1ccc(-c2cccc(C(=O)O)c2)cc1CNC(=O)c1nc(-c2cccs2)sc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
PPARD Q03181 4/20 0.54
PPARA Q07869 4/20 0.54
DHFR P00374 2/20 0.41
KDM4E B2RXH2 9/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TNFRSF1A P19438 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3417597 0.88 PPARA (0.56) PPARGPPARDPPARADHFRKDM4E
SCHEMBL13433236 0.86 PPARA (0.56) PPARGPPARDPPARADHFRKDM4E
SCHEMBL13433235 0.83 PPARD (0.52) PPARGPPARDPPARADHFRKDM4E
SCHEMBL6498808 0.80 PPARA (0.44) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL3416603 0.78 KDM4E (0.52) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL3415767 0.76 PPARA (0.60) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL13461043 0.76 KDM4E (0.51) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL3416622 0.76 PPARA (0.46) PPARGPPARDPPARAKDM4ERAB9A
SCHEMBL3413742 0.75 PPARA (0.58) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL3416671 0.74 RAB9A (0.48) PPARGPPARDPPARANPC1RAB9A

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed