SCHEMBL3841493

SCHEMBL3841493

CCCCCCCn1nc(NCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(CCCCCCC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.47
PPARG P37231 12/20 0.47
PPARD Q03181 7/20 0.43
SMPD1 P17405 1/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38

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
SCHEMBL3844532 0.93 PPARA (0.45) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3848920 0.92 PPARG (0.43) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3841090 0.91 PPARG (0.47) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3284511 0.91 PPARA (0.39) PPARAPPARGPPARDSMPD1
SCHEMBL3841060 0.91 PPARG (0.39) PPARAPPARGSMPD1
SCHEMBL3842013 0.90 PPARG (0.44) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3841175 0.89 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3844320 0.89 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3842665 0.88 PPARG (0.46) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL3845317 0.85 PPARA (0.49) 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 4 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
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed