SCHEMBL3849869

SCHEMBL3849869

CCCCCCCn1c(=O)c(NCCCc2cccc(SC(C)(CCC)C(=O)O)c2)nn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
CNOT7 Q9UIV1 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
TP53 P04637 2/20 0.33
PPARD Q03181 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL3846355 0.96 PPARG (0.37) PPARGPPARACNOT7ADORA3TP53
SCHEMBL3849410 0.91 PPARG (0.40) PPARGPPARACNOT7ADORA3TP53
SCHEMBL3840290 0.91 PPARG (0.39) PPARGPPARACNOT7ADORA3TP53
SCHEMBL3841397 0.90 PPARG (0.32) PPARGPPARAPPARDS1PR2S1PR4
SCHEMBL3842931 0.89 PPARA (0.43) PPARGPPARAADORA3TP53PPARD
SCHEMBL3843493 0.87 PPARG (0.37) PPARGPPARAADORA3TP53PPARD
SCHEMBL3841112 0.87 PPARG (0.39) PPARGPPARAADORA3TP53PPARD
SCHEMBL3841974 0.87 PPARG (0.38) PPARGPPARACNOT7ADORA3PPARD
SCHEMBL3845660 0.86 S1PR1 (0.36) PPARGPPARACNOT7PPARDS1PR2
SCHEMBL3840985 0.86 PPARG (0.36) PPARGPPARATP53PPARDPOLB

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