SCHEMBL3842931

SCHEMBL3842931

CCCCCCCn1c(=O)c(NCCCCc2cccc(SC(C)(CCC)C(=O)O)c2)nn(Cc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 2/20 0.38
ADORA3 P0DMS8 3/20 0.37
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.35
TLR7 Q9NYK1 4/20 0.34

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
SCHEMBL3841112 0.95 PPARG (0.39) PPARAPPARGPPARDADORA3TP53
SCHEMBL3849410 0.95 PPARG (0.40) PPARAPPARGPPARDADORA3TP53
SCHEMBL3843417 0.92 PPARA (0.44) PPARAPPARGPPARDADORA3TP53
SCHEMBL3843493 0.91 PPARG (0.37) PPARAPPARGPPARDADORA3TP53
SCHEMBL3849869 0.89 PPARG (0.38) PPARAPPARGPPARDADORA3TP53
SCHEMBL3840985 0.88 PPARG (0.36) PPARAPPARGPPARDTP53POLB
SCHEMBL3285942 0.87 PPARA (0.42) PPARAPPARGPPARDADORA3TP53
SCHEMBL3846355 0.87 PPARG (0.37) PPARAPPARGADORA3TP53
SCHEMBL3842827 0.86 PPARG (0.40) PPARAPPARGPPARDADORA3TP53
SCHEMBL3842355 0.86 PPARG (0.41) PPARAPPARGPPARDADORA3TP53

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