SCHEMBL1400481

SCHEMBL1400481

CCC(C(=O)O)[C@@H]1CCc2cc(OCCCOc3ccc(I)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.60
PPARA Q07869 18/20 0.60

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
SCHEMBL1400245 0.87 PPARG (0.62) PPARGPPARA
SCHEMBL1400200 0.87 PPARG (0.62) PPARGPPARA
SCHEMBL1400706 0.87 PPARG (0.67) PPARGPPARA
SCHEMBL1400383 0.83 PPARD (0.66) PPARGPPARA
SCHEMBL1401403 0.82 PPARA (0.69) PPARGPPARA
SCHEMBL1400250 0.82 PPARA (0.62) PPARGPPARA
SCHEMBL1400670 0.82 PPARA (0.62) PPARGPPARA
SCHEMBL1400312 0.82 PPARA (0.62) PPARGPPARA
SCHEMBL821077 0.82 PPARA (0.62) PPARGPPARA
SCHEMBL6226923 0.82 PPARA (0.62) PPARGPPARA

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