SCHEMBL17431333

SCHEMBL17431333

CCC(C(=O)O)c1csc2cc(OCc3ccc(C(F)(F)F)nc3N3CCCC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 5/20 0.39
▸ PPARA Q07869 5/20 0.39
▸ TRPV1 Q8NER1 15/20 0.39
▸ PPARG P37231 2/20 0.38

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
SCHEMBL17431486 0.86 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL17431353 0.85 PPARA (0.42) PPARDPPARAPPARG
SCHEMBL17431382 0.83 PPARD (0.58) PPARDPPARATRPV1PPARG
SCHEMBL17444901 0.82 PPARD (0.46) PPARDPPARATRPV1PPARG
SCHEMBL15211263 0.82 PPARD (0.40) PPARDPPARATRPV1PPARG
SCHEMBL17431488 0.79 PPARA (0.44) PPARDPPARAPPARG
SCHEMBL17431311 0.78 PPARA (0.40) PPARDPPARAPPARG
SCHEMBL17431456 0.78 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL15211495 0.77 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL17431420 0.76 PPARD (0.53) PPARDPPARAPPARG

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
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 — — US disclosed
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