SCHEMBL1400340

SCHEMBL1400340

CCCc1cc(-c2nc(CC)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2C(CC)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.75
PPARD Q03181 16/20 0.75
PPARG P37231 4/20 0.56

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
SCHEMBL1400281 0.98 PPARA (0.71) PPARAPPARDPPARG
SCHEMBL1400506 0.90 PPARA (0.74) PPARAPPARDPPARG
SCHEMBL3023128 0.86 PPARD (1.00) PPARAPPARD
SCHEMBL3019658 0.85 PPARA (0.76) PPARAPPARDPPARG
SCHEMBL1400588 0.83 PPARD (0.95) PPARAPPARD
SCHEMBL1400389 0.83 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL12798704 0.82 PPARD (0.85) PPARAPPARD
SCHEMBL3120428 0.81 PPARD (1.00) PPARAPPARD
SCHEMBL12798534 0.80 PPARD (0.81) PPARAPPARD
SCHEMBL1400545 0.80 PPARA (0.72) PPARAPPARDPPARG

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