SCHEMBL3841370

SCHEMBL3841370

CCCCCCCn1nc(OCCCOc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 9/20 0.48
PPARD Q03181 5/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 2/20 0.39
HPGD P15428 1/20 0.39
SMPD1 P17405 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3849240 0.98 PPARA (0.48) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL3284392 0.90 PPARA (0.51) PPARAPPARGNPC1ALDH1A1KMT2A
SCHEMBL3845248 0.90 PLA2G4B (0.40) PPARAPPARGNPC1ALDH1A1KMT2A
SCHEMBL3845681 0.90 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL3849961 0.90 PPARA (0.58) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL3844621 0.90 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL3846291 0.89 PLA2G4B (0.40) PPARAPPARGNPC1ALDH1A1KMT2A
SCHEMBL3289722 0.89 PPARA (0.51) PPARAPPARGNPC1ALDH1A1KMT2A
SCHEMBL3844604 0.85 KMT2A (0.36) PPARAPPARGNPC1ALDH1A1KMT2A
SCHEMBL3842642 0.84 PPARA (0.51) 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