SCHEMBL5034466

SCHEMBL5034466

COc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
MAPK8 P45983 1/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL5032820 0.94 PPARA (0.40) HTTALDH1A1HPGDMAPK8PPARA
SCHEMBL5032738 0.94 PPARA (0.40) HTTALDH1A1HPGDGAAPKM
SCHEMBL5031908 0.92 PPARA (0.41) HPGDMAPTPPARAPPARDPPARG
SCHEMBL5031737 0.92 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5032979 0.91 PDE4A (0.42) HTTALDH1A1HPGDGAAPKM
SCHEMBL5032817 0.90 PPARD (0.47) HTTALDH1A1HPGDGAAPKM
SCHEMBL5029970 0.89 PPARA (0.44) HTTALDH1A1HPGDGAAPKM
SCHEMBL6888818 0.81 HTT (0.43) HTTALDH1A1HPGDGAAPKM
SCHEMBL5034465 0.81 PPARA (0.48) ALDH1A1PPARAPPARDPPARG
SCHEMBL5034503 0.81 PPARA (0.61) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed