SCHEMBL3848033

SCHEMBL3848033

CCCCCCCn1nc(OCCCc2cccc(SC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.39
PPARG P37231 7/20 0.39
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PPARD Q03181 2/20 0.34
SMPD1 P17405 2/20 0.33
CNOT7 Q9UIV1 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3842108 0.91 PPARA (0.38) PPARAPPARGHTR2CSLC6A4MAOA
SCHEMBL3284450 0.91 PPARA (0.42) PPARAPPARGHTR2CSLC6A4MAOA
SCHEMBL3844116 0.89 PLA2G4B (0.38) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL3844604 0.89 KMT2A (0.36) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL3848031 0.85 PPARG (0.35) PPARAPPARGMAOAMAOBSLC22A12
SCHEMBL3845681 0.84 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL3841330 0.83 PPARG (0.38) PPARAPPARGMAOAMAOBSLC22A12
SCHEMBL3844829 0.83 SMPD1 (0.39) MEN1MAPTKMT2AHTTSMPD1
SCHEMBL3844865 0.82 PPARA (0.48) PPARAPPARGKMT2APPARDALDH1A1
SCHEMBL3844621 0.81 PPARA (0.63) 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
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