SCHEMBL8105580

SCHEMBL8105580

CC(C)O[Si](C)(C)C[C@](O)(c1ccccc1F)[C@@H](C)n1ccn(-c2ccc(OC(F)(F)C(F)F)cc2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33

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
SCHEMBL8105586 1.00 PPARD (0.33) PPARDPPARA
SCHEMBL8107270 0.90 HTT (0.33) PPARDPPARA
SCHEMBL8107272 0.90 HTT (0.33) PPARDPPARA
SCHEMBL8097551 0.90 CYP3A4 (0.36)
SCHEMBL8097558 0.90 CYP3A4 (0.36)
SCHEMBL8105394 0.87 PPARD (0.34) PPARDPPARA
SCHEMBL8105399 0.87 PPARD (0.34) PPARDPPARA
SCHEMBL7680516 0.83 CYP3A4 (0.35)
SCHEMBL7680523 0.83 CYP3A4 (0.35)
SCHEMBL8111015 0.82 PPARD (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033367-A2 Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-06 EP disclosed
US-5677464-A Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP disclosed