SCHEMBL1401199

SCHEMBL1401199

COc1ccc(-c2nc(NCCCOc3ccc4c(c3)CCC4CC(=O)O)ccc2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.60
PPARA Q07869 15/20 0.56
PPARG P37231 4/20 0.56

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
SCHEMBL1401197 1.00 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL1400440 0.94 PPARA (0.55) PPARDPPARAPPARG
SCHEMBL1400419 0.93 PPARA (0.56) PPARDPPARAPPARG
SCHEMBL1400752 0.93 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL1401035 0.93 PPARD (0.61) PPARDPPARA
SCHEMBL3119829 0.91 PPARD (0.56) PPARDPPARA
SCHEMBL12798881 0.91 PPARA (0.48) PPARDPPARAPPARG
SCHEMBL1400562 0.88 PPARA (0.56) PPARDPPARAPPARG
SCHEMBL3009273 0.86 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL6207557 0.86 PPARD (0.41) PPARDPPARAPPARG

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