SCHEMBL3849916

SCHEMBL3849916

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.41
PPARG P37231 9/20 0.41
PPARD Q03181 6/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5AP P20292 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
SCHEMBL3841403 0.92 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3840282 0.92 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3842218 0.90 PPARA (0.36) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL3848677 0.88 PPARG (0.41) PPARAPPARGPPARDCNR1ACHE
SCHEMBL3842292 0.87 PPARG (0.39) PPARAPPARGPPARDCNR1ACHE
SCHEMBL3287354 0.86 PPARA (0.40) PPARAPPARGPPARDCNR1ACHE
SCHEMBL3841446 0.85 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3840790 0.85 PPARA (0.46) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3848673 0.85 PPARA (0.44) PPARAPPARGPPARDCNR1CNR2
SCHEMBL3851244 0.83 PPARA (0.43) 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 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