SCHEMBL6692564

SCHEMBL6692564

O=[C]CC(O)CCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGFR P43088 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
MMP12 P39900 4/20 0.41
MMP13 P45452 4/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
F2RL1 P55085 1/20 0.41
DPP4 P27487 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B2 P37059 1/20 0.37

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
SCHEMBL1138927 1.00 FFAR1 (0.42) FFAR1PTGER1PTGFRTAAR1MMP12
SCHEMBL4258875 0.81 FFAR1 (0.42) FFAR1PTGFRTAAR1MMP12MMP13
SCHEMBL27547657 0.80 TAAR1 (0.45) TAAR1F2RL1PTGS1PTGS2TDP1
SCHEMBL1139615 0.80 MMP12 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3938461 0.80 MMP12 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4270542 0.79 ALDH1A1 (0.41) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14005420 0.78 TAAR1 (0.54) PTGER1PTGFRTAAR1MMP12MMP13
SCHEMBL6692566 0.78 TAAR1 (0.43) PTGER1PTGFRTAAR1MMP12MMP13
SCHEMBL408931 0.78 TAAR1 (0.43) PTGER1PTGFRTAAR1MMP12MMP13
SCHEMBL1138928 0.78 TAAR1 (0.43) PTGER1PTGFRTAAR1MMP12MMP13

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
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed