SCHEMBL1400701

SCHEMBL1400701

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCNc3nc(-c4ccc(OC)cc4)ccc3C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.57
PPARG P37231 16/20 0.57

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
SCHEMBL1400265 0.94 PPARA (0.58) PPARAPPARG
SCHEMBL1400388 0.87 PPARA (0.56) PPARAPPARG
SCHEMBL1401034 0.87 PPARA (0.57) PPARAPPARG
SCHEMBL3009273 0.85 PPARD (0.60) PPARAPPARG
SCHEMBL12849192 0.84 PPARA (0.46) PPARAPPARG
SCHEMBL12798889 0.83 PPARA (0.49) PPARAPPARG
SCHEMBL1400548 0.81 PPARA (0.56) PPARAPPARG
SCHEMBL12849454 0.81 PPARA (0.47) PPARAPPARG
SCHEMBL1400607 0.80 PPARA (0.72) PPARAPPARG
SCHEMBL1400996 0.79 PPARA (0.61) 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