SCHEMBL1400310

SCHEMBL1400310

CCCN(CCCOc1ccc2c(c1)CC[C@H]2C(CC)C(=O)O)c1ccc(C#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.53
PPARG P37231 18/20 0.53

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
SCHEMBL1400649 0.85 PPARA (0.50) PPARAPPARG
SCHEMBL3021586 0.85 PPARD (0.67) PPARAPPARG
SCHEMBL1400666 0.84 PPARA (0.56) PPARAPPARG
SCHEMBL6253353 0.83 PPARD (0.46) PPARAPPARG
SCHEMBL12849334 0.83 PPARD (0.50) PPARAPPARG
SCHEMBL1400195 0.82 PPARG (0.53) PPARAPPARG
SCHEMBL1400861 0.82 PPARA (0.61) PPARAPPARG
SCHEMBL12809099 0.81 PPARD (0.54) PPARAPPARG
SCHEMBL13355768 0.81 PPARD (0.51) PPARAPPARG
SCHEMBL1400553 0.78 PPARG (0.54) 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