SCHEMBL3840689

SCHEMBL3840689

CCCCCCCn1nc(NCCCc2cccc(OC(C)(CCC)C(=O)O)c2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.47
PPARG P37231 8/20 0.47
PPARD Q03181 2/20 0.43
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
THRB P10828 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 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
SCHEMBL3848279 0.98 PPARA (0.47) PPARAPPARGPPARDMAPTTP53
SCHEMBL3841464 0.95 PPARA (0.48) PPARAPPARGPPARDMAPTADORA3
SCHEMBL3844887 0.95 PPARA (0.52) PPARAPPARGPPARDMAPTTP53
SCHEMBL3844352 0.93 PPARA (0.48) PPARAPPARGPPARDMAPTADORA3
SCHEMBL3841458 0.93 PPARA (0.42) PPARAPPARGPPARDMAPTTP53
SCHEMBL3844298 0.93 PPARA (0.51) PPARAPPARGPPARDMAPTTP53
SCHEMBL3848274 0.92 PPARA (0.47) PPARAPPARGPPARDMAPTLMNA
SCHEMBL3842876 0.92 PPARA (0.56) PPARAPPARGPPARDMAPTTP53
SCHEMBL3849215 0.91 PPARA (0.45) PPARAPPARGPPARDMAPTADORA3
SCHEMBL3840684 0.90 PPARA (0.42) PPARAPPARGPPARDMAPTTP53

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