SCHEMBL3848677

SCHEMBL3848677

CCCCCCCn1c(=O)c(OCc2ccc(OC(C)(CCC)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.41
PPARA Q07869 8/20 0.41
PPARD Q03181 4/20 0.37
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 1/20 0.36
PLA2G4B P0C869 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
CNR2 P34972 1/20 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
SCHEMBL3842218 0.91 PPARA (0.36) PPARGPPARAPPARD
SCHEMBL3845856 0.91 PPARG (0.44) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3841402 0.90 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL3849916 0.88 PPARA (0.41) PPARGPPARAPPARDHTR2CSLC6A4
SCHEMBL3842292 0.86 PPARG (0.39) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3284441 0.83 PPARA (0.45) PPARGPPARAPPARDTSHR
SCHEMBL3841400 0.83 PPARA (0.49) PPARGPPARAPPARDPLA2G4BCNR1
SCHEMBL3842663 0.82 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL3840362 0.81 PPARA (0.43) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL3845272 0.80 PPARA (0.53) PPARGPPARAPPARD

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