SCHEMBL9910267

SCHEMBL9910267

CC[C@@H]1CCc2cc(OCCc3nc(-c4ccc(N(C)C)cc4)sc3C)ccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.68
PPARG P37231 16/20 0.68
PPARD Q03181 4/20 0.55

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
SCHEMBL20232563 0.92 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL9910100 0.91 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL821110 0.90 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL20235209 0.89 PPARA (0.82) PPARAPPARGPPARD
SCHEMBL9910096 0.88 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL12601491 0.87 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL12809434 0.87 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL9910101 0.87 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL9910308 0.87 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL12645950 0.85 PPARA (0.68) PPARAPPARGPPARD

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
WO-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO disclosed