SCHEMBL6207748

SCHEMBL6207748

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
PPARD Q03181 19/20 0.39
PPARA Q07869 18/20 0.39

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
SCHEMBL3021568 0.85 PPARD (0.55) PPARDPPARA
SCHEMBL6253353 0.85 PPARD (0.46) PPARDPPARA
SCHEMBL12849387 0.84 PPARD (0.42) PPARDPPARA
SCHEMBL1400649 0.83 PPARA (0.50) PPARA
SCHEMBL12798852 0.83 PPARD (0.47) PPARDPPARA
SCHEMBL6207393 0.80 PPARA (0.54) PPARDPPARA
SCHEMBL6207678 0.77 PPARD (0.53) PPARDPPARA
SCHEMBL6207214 0.75 PPARD (0.52) PPARDPPARA
SCHEMBL3021586 0.70 PPARD (0.67) PPARDPPARA
SCHEMBL6207572 0.70 PPARD (0.52) PPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed