SCHEMBL27682805

SCHEMBL27682805

O=C(O)CCCc1ccc(OCCCCBr)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.66
S1PR1 P21453 4/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR5 Q9H228 1/20 0.56
PPARA Q07869 2/20 0.55
FFAR4 Q5NUL3 3/20 0.54
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 1/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC1 Q13547 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51

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
SCHEMBL3257411 0.88 FFAR1 (0.66) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL8767174 0.87 FFAR1 (0.79) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL11311575 0.83 S1PR1 (0.68) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL11309024 0.83 S1PR1 (0.68) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL25175626 0.83 S1PR1 (0.68) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL7750520 0.82 PLA2G4B (0.60) FFAR1LMNAL3MBTL1PPARASMN1; SMN2
SCHEMBL7257905 0.82 FFAR1 (0.71) FFAR1LMNAL3MBTL1PPARAFFAR4
SCHEMBL4898898 0.81 FFAR1 (0.68) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL7999557 0.81 FFAR1 (0.65) FFAR1S1PR1LMNAL3MBTL1S1PR3
SCHEMBL7565477 0.81 FFAR1 (0.67) FFAR1S1PR1LMNAL3MBTL1S1PR3

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
CN-1993326-A Heterocyclic acetophenone potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-07-04 CN disclosed