SCHEMBL9910096

SCHEMBL9910096

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

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.81
PPARG P37231 18/20 0.81
PPARD Q03181 2/20 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
SCHEMBL20235204 0.92 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL13048592 0.92 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL9910100 0.91 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL13949675 0.90 PPARA (0.82) PPARAPPARGPPARD
SCHEMBL4685996 0.90 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL820622 0.90 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL821108 0.89 PPARA (0.84) PPARAPPARGPPARD
SCHEMBL20235209 0.89 PPARA (0.82) PPARAPPARGPPARD
SCHEMBL9910267 0.88 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL12601491 0.87 PPARA (0.67) 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 2 patents. 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
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed