SCHEMBL2526451

SCHEMBL2526451

CC(C)(C)CC(=O)CCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.33
CAMK2A Q9UQM7 1/20 0.33
HAO1 Q9UJM8 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
SCHEMBL2529087 1.00 FFAR1 (0.46) FFAR1GPR84FFAR4KDM4ESMN1; SMN2
SCHEMBL2528979 0.98 GPR84 (0.42) FFAR1GPR84FFAR4KDM4ESMN1; SMN2
SCHEMBL2527740 0.91 CAMK2A (0.42) FFAR1GPR84FFAR4KDM4ESMN1; SMN2
SCHEMBL3751876 0.84 FFAR1 (0.44) FFAR1GPR84FFAR4KDM4ESMN1; SMN2
SCHEMBL2529084 0.82 KMT2A (0.35) FFAR1GPR84TDP1KMT2AMAPT
SCHEMBL11519299 0.82 KMT2A (0.56) FFAR1GPR84FFAR4TDP1KMT2A
SCHEMBL4451253 0.82 KMT2A (0.56) FFAR1GPR84FFAR4TDP1KMT2A
SCHEMBL8897012 0.82 KMT2A (0.56) FFAR1GPR84FFAR4TDP1KMT2A
SCHEMBL11038929 0.82 KMT2A (0.56) FFAR1GPR84FFAR4TDP1KMT2A
SCHEMBL19617979 0.82 KMT2A (0.56) FFAR1GPR84FFAR4TDP1KMT2A

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
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed