SCHEMBL6650657

SCHEMBL6650657

CC(=O)Oc1cc(F)ccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CFD P00746 2/20 0.41
MAOB P27338 1/20 0.39
KDM4E B2RXH2 4/20 0.39
PTGS2 P35354 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 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
SCHEMBL6649339 0.84 MAOB (0.38) CYP4F2CYP4A11MAOBALDH1A1GAA
SCHEMBL27649172 0.83 CYP4F2 (0.44) CYP4F2CYP4A11CFDMAOBKDM4E
SCHEMBL28055980 0.83 PKM (0.37) MAOBALDH1A1PKMKMT2ASMN1; SMN2
SCHEMBL8216520 0.81 CFD (0.49) CYP4F2CYP4A11CFDKDM4EPTGS2
SCHEMBL21044063 0.81 LMNA (0.48) CYP4F2CYP4A11CFDMAOBKDM4E
SCHEMBL2791448 0.79 PTGS2 (0.52) KDM4EPTGS2ALDH1A1TSHRBLM
SCHEMBL3639665 0.79 BACE1 (0.51) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL5755257 0.78 TSHR (0.58) CYP4F2CYP4A11CFDKDM4EPTGS2
SCHEMBL8897775 0.78 CFD (0.39) CYP4F2CYP4A11CFDKDM4EPTGS2
SCHEMBL27706038 0.77 FFAR1 (0.46) CYP4F2CYP4A11CFDKDM4EPTGS2

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-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed