SCHEMBL6498726

SCHEMBL6498726

CCCCc1ccc(C(=O)C(N)c2cc(CC(CC)C(=O)O)ccc2OC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.46
PPARD Q03181 8/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6498729 0.79 PPARA (0.64) PPARAPPARDPPARG
SCHEMBL6505767 0.77 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL4450745 0.73 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL3944237 0.73 PPARA (0.63) PPARAPPARDPPARG
SCHEMBL3943367 0.73 PPARA (0.64) PPARAPPARDPPARG
SCHEMBL3945778 0.72 PPARA (0.64) PPARAPPARDPPARG
SCHEMBL4459430 0.70 PPARA (0.69) PPARAPPARDPPARG
SCHEMBL6508218 0.69 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL7680533 0.68 PPARA (0.47) PPARAPPARDKDM4EMEN1ALDH1A1
SCHEMBL28622516 0.68 ALOX15 (0.60) PPARAPPARDALOX15PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed