SCHEMBL3845317

SCHEMBL3845317

CC(C)(Oc1ccc(OCCNc2nn(CCCC3CCCCC3)c(=O)n(CCCC3CCCCC3)c2=O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.49
PPARG P37231 9/20 0.49
PPARD Q03181 4/20 0.49
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL3284688 0.91 PPARA (0.41) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL3845275 0.90 PPARG (0.42) PPARAPPARGPPARDS1PR4S1PR1
SCHEMBL3841493 0.85 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3841314 0.85 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL3844320 0.85 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3844532 0.79 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3848920 0.78 PPARG (0.43) PPARAPPARGPPARD
SCHEMBL3285150 0.77 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3284511 0.77 PPARA (0.39) PPARAPPARGPPARDALDH1A1
SCHEMBL3841060 0.77 PPARG (0.39) PPARAPPARGS1PR4S1PR1S1PR3

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