Sugi Predict

Sugi Predict / Compounds / SCHEMBL3842837

SCHEMBL3842837

SCHEMBL3842837

Cn1c(=O)c(OCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.49
▸ PPARD Q03181 11/20 0.49
▸ PPARG P37231 10/20 0.49
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43

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
SCHEMBL3845479 0.95 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL3284595 0.90 PPARA (0.42) PPARAPPARDPPARG
SCHEMBL3842418 0.90 PPARA (0.39) PPARAPPARDPPARG
SCHEMBL3842642 0.88 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL3844005 0.86 PPARA (0.48) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL3841408 0.86 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL3284383 0.85 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL3845254 0.85 PPARA (0.51) PPARAPPARDPPARGCYP4F2CYP4A11
SCHEMBL3845124 0.84 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL3845411 0.84 PPARA (0.51) 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 2 patents. 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 — — EP disclosed