SCHEMBL1400749

SCHEMBL1400749

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCN(C)c3nc(-c4ccc(OC)cc4)c(C#N)cc3F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.55
PPARG P37231 16/20 0.55
PPARD Q03181 2/20 0.49

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
SCHEMBL1400727 0.88 PPARA (0.54) PPARAPPARG
SCHEMBL3013517 0.86 PPARD (0.66) PPARAPPARGPPARD
SCHEMBL13355815 0.85 PPARD (0.52) PPARAPPARGPPARD
SCHEMBL12809101 0.84 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL12849194 0.83 PPARD (0.53) PPARAPPARGPPARD
SCHEMBL1400795 0.82 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL1400852 0.81 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL1400501 0.81 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL1400883 0.75 PPARA (0.55) PPARAPPARG
SCHEMBL1400760 0.75 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