SCHEMBL3842355

SCHEMBL3842355

CCCCCCCn1nc(NCCCCc2cccc(SC(C)(C)C(=O)O)c2)c(=O)n(CCCCCCC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
TP53 P04637 2/20 0.36
PPARD Q03181 2/20 0.36
ADORA3 P0DMS8 3/20 0.35
SMPD1 P17405 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CNOT7 Q9UIV1 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL3842827 0.95 PPARG (0.40) PPARGPPARATP53PPARDADORA3
SCHEMBL3844324 0.95 PPARG (0.38) PPARGPPARATP53PPARDADORA3
SCHEMBL3843417 0.94 PPARA (0.44) PPARGPPARATP53PPARDADORA3
SCHEMBL3841330 0.93 PPARG (0.38) PPARGPPARATP53PPARDSMPD1
SCHEMBL3849410 0.91 PPARG (0.40) PPARGPPARATP53PPARDADORA3
SCHEMBL3840290 0.91 PPARG (0.39) PPARGPPARATP53PPARDADORA3
SCHEMBL3286592 0.91 PPARA (0.41) PPARGPPARATP53PPARDADORA3
SCHEMBL3841974 0.88 PPARG (0.38) PPARGPPARAPPARDADORA3CNOT7
SCHEMBL3843493 0.87 PPARG (0.37) PPARGPPARATP53PPARDADORA3
SCHEMBL3284363 0.87 PPARA (0.40) PPARGPPARATP53PPARDADORA3

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