Sugi Predict

Sugi Predict / Compounds / SCHEMBL6528547

SCHEMBL6528547

SCHEMBL6528547

CC(C)(Oc1cccc(CCCCn2nc(Cc3ccccc3)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 15/20 0.48
▸ PPARG P37231 12/20 0.48
▸ PPARD Q03181 7/20 0.45
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ TRPC5 Q9UL62 3/20 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
SCHEMBL6509768 0.92 PPARA (0.51) PPARAPPARGPPARDTRPC5
SCHEMBL6508882 0.91 PPARA (0.52) PPARAPPARGPPARDTRPC5
SCHEMBL6515700 0.91 PPARA (0.58) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6514551 0.90 PPARA (0.62) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL6511378 0.89 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840604 0.85 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3849871 0.84 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845816 0.84 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844826 0.84 PPARA (0.55) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3846346 0.83 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11

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-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 — — WO disclosed