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Sugi Predict / Compounds / SCHEMBL3846682

SCHEMBL3846682

SCHEMBL3846682

Cn1c(=O)c(NCCCCc2cccc(OC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 14/20 0.48
▸ PPARG P37231 10/20 0.48
▸ PPARD Q03181 8/20 0.43
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.37
▸ KCNH2 Q12809 3/20 0.37

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
SCHEMBL3845626 0.98 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840894 0.95 PPARA (0.45) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840604 0.93 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3849871 0.92 PPARA (0.48) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841355 0.91 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3289743 0.91 PPARA (0.51) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3842294 0.91 PPARA (0.41) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3845816 0.90 PPARA (0.47) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848017 0.89 PPARA (0.61) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841935 0.89 PPARA (0.48) PPARAPPARGPPARDPCSK9

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 — — EP claimed