SCHEMBL5032817

SCHEMBL5032817

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.47
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5034466 0.90 HTT (0.43) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL5034503 0.89 PPARA (0.61) PPARDPPARAPPARG
SCHEMBL5031908 0.84 PPARA (0.41) PPARDPPARAPPARGHPGDMAPT
SCHEMBL5032738 0.84 PPARA (0.40) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL5032820 0.84 PPARA (0.40) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL5031737 0.82 PPARA (0.41) PPARDPPARAPPARG
SCHEMBL5032979 0.82 PDE4A (0.42) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL6426215 0.81 PPARG (0.46) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL5029970 0.81 PPARA (0.44) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL5034465 0.79 PPARA (0.48) PPARDPPARAPPARGALDH1A1

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