SCHEMBL1400649

SCHEMBL1400649

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

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.50
PPARG P37231 18/20 0.50

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
SCHEMBL1400310 0.85 PPARA (0.53) PPARAPPARG
SCHEMBL3021568 0.85 PPARD (0.55) PPARA
SCHEMBL1400516 0.85 PPARG (0.55) PPARAPPARG
SCHEMBL6207748 0.83 HCAR3 (0.39) PPARA
SCHEMBL12849387 0.82 PPARD (0.42) PPARA
SCHEMBL12798852 0.81 PPARD (0.47) PPARA
SCHEMBL1400861 0.81 PPARA (0.61) PPARAPPARG
SCHEMBL1400379 0.78 PPARA (0.53) PPARAPPARG
SCHEMBL1400553 0.78 PPARG (0.54) PPARAPPARG
SCHEMBL1400456 0.78 PPARA (0.60) 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