SCHEMBL8767174

SCHEMBL8767174

O=C(O)CCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.79
S1PR1 P21453 4/20 0.68
S1PR3 Q99500 2/20 0.66
S1PR5 Q9H228 1/20 0.66
HDAC3 O15379 1/20 0.65
MAPK1 P28482 1/20 0.65
ADRA1A P35348 1/20 0.65
HDAC4 P56524 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HDAC1 Q13547 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
PPARA Q07869 3/20 0.62

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
SCHEMBL4530820 0.92 FFAR1 (0.88) FFAR1S1PR1S1PR3S1PR5PPARA
SCHEMBL1746597 0.89 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5FFAR4
SCHEMBL4656572 0.87 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5FFAR4
SCHEMBL27682805 0.87 FFAR1 (0.66) FFAR1S1PR1S1PR3S1PR5HDAC3
SCHEMBL1744690 0.87 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5PPARA
SCHEMBL27615885 0.86 FFAR1 (0.80) FFAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL25175626 0.86 S1PR1 (0.68) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL11309024 0.86 S1PR1 (0.68) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL11311575 0.86 S1PR1 (0.68) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL1162023 0.86 PPARA (0.74) FFAR1HDAC3HDAC4HDAC1HDAC7

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed