SCHEMBL6649339

SCHEMBL6649339

CC(=O)OOc1cc(F)ccc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RIPK1 Q13546 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 3/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 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
SCHEMBL6650657 0.84 CYP4F2 (0.44) MAOBPKMPOLBL3MBTL1SMN1; SMN2
SCHEMBL27602868 0.82 ALOX15 (0.36) MAOBPKMSMN1; SMN2HDAC3HDAC1
SCHEMBL9407039 0.80 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL11355453 0.78 ALDH1A1 (0.40) MAOBPKMSMN1; SMN2RIPK1ALDH1A1
SCHEMBL6649289 0.77 FFAR1 (0.44) PKMSMN1; SMN2ALDH1A1MAPTFFAR1
SCHEMBL5755250 0.76 KDM4E (0.46) POLBL3MBTL1ALDH1A1MAPTCYP4F2
SCHEMBL5740669 0.75 CES2 (0.42) MAOBPKML3MBTL1MAPT
SCHEMBL28055980 0.74 PKM (0.37) MAOBPKMSMN1; SMN2HDAC3HDAC1
SCHEMBL27674522 0.73 CA3 (0.41) MAOBPKMGAA
SCHEMBL4374302 0.73 PKM (0.62) PKMPOLBL3MBTL1SMN1; SMN2ALDH1A1

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