SCHEMBL6509429

SCHEMBL6509429

CCOC(=O)C(C)(C)Oc1ccc(CCn2nc(C3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.47
PPARG P37231 9/20 0.45
PPARD Q03181 6/20 0.45
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL6512146 0.95 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6509723 0.87 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6512124 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6512190 0.85 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6508401 0.83 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6513188 0.83 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6508372 0.83 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6519143 0.82 FBP1 (0.44) PPARAPPARG
SCHEMBL6519146 0.82 FBP1 (0.44) PPARAPPARG
SCHEMBL6511517 0.81 PPARA (0.49) PPARAPPARGPPARD

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