SCHEMBL1400385

SCHEMBL1400385

CCc1ccc(-c2ccc(C(F)(F)F)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4C(CC)C(=O)O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.57
PPARG P37231 11/20 0.57
PPARD Q03181 5/20 0.54

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
SCHEMBL1400536 0.86 PPARD (0.70) PPARAPPARD
SCHEMBL1400265 0.85 PPARA (0.58) PPARAPPARG
SCHEMBL12798920 0.83 PPARD (0.61) PPARAPPARD
SCHEMBL3124670 0.83 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL1400760 0.83 PPARA (0.76) PPARAPPARGPPARD
SCHEMBL1400701 0.79 PPARA (0.57) PPARAPPARG
SCHEMBL1400992 0.78 PPARG (0.70) PPARAPPARG
SCHEMBL1400751 0.77 PPARA (0.35) PPARAPPARGPPARD
SCHEMBL1400465 0.77 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL1400883 0.76 PPARA (0.55) PPARAPPARG

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