SCHEMBL1400236

SCHEMBL1400236

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCOc3ccc(C#N)cc3OC)ccc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.70
PPARD Q03181 5/20 0.70
PPARG P37231 14/20 0.58

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
SCHEMBL1400355 0.88 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL1400304 0.87 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL1400666 0.85 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL1400456 0.84 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL1400667 0.82 PPARD (1.00) PPARAPPARD
SCHEMBL1400365 0.82 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL1400434 0.81 PPARG (0.58) PPARAPPARG
SCHEMBL1400481 0.80 PPARG (0.60) PPARAPPARG
SCHEMBL1400853 0.80 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL12808957 0.79 PPARD (0.81) PPARAPPARD

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