SCHEMBL1400396

SCHEMBL1400396

CCc1coc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4C(CC)C(=O)O)c(OC)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.68
PPARG P37231 17/20 0.68
PPARD Q03181 1/20 0.55

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
SCHEMBL1400506 0.86 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL1400251 0.85 PPARD (0.74) PPARAPPARD
SCHEMBL12798755 0.82 PPARD (0.62) PPARAPPARD
SCHEMBL820619 0.81 PPARG (1.00) PPARAPPARG
SCHEMBL1400853 0.81 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL1400380 0.81 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL1400304 0.81 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL1400365 0.81 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL1400272 0.79 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL1400446 0.79 PPARA (0.76) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed