SCHEMBL2528979

SCHEMBL2528979

CC(C)(C)CC(=O)CCCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CAMK2A Q9UQM7 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2526451 0.98 FFAR1 (0.46) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL2529087 0.98 FFAR1 (0.46) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL2527740 0.93 CAMK2A (0.42) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL2529497 0.82 HMGCR (0.32) TSHR
SCHEMBL3751876 0.82 FFAR1 (0.44) GPR84FFAR1FFAR4SMN1; SMN2KDM4E
SCHEMBL2528976 0.81 MAPT (0.32) KMT2AMAPT
SCHEMBL11038929 0.79 KMT2A (0.56) GPR84FFAR1FFAR4TDP1KMT2A
SCHEMBL2529084 0.79 KMT2A (0.35) GPR84FFAR1TDP1KMT2AMAPT
SCHEMBL19617979 0.79 KMT2A (0.56) GPR84FFAR1FFAR4TDP1KMT2A
SCHEMBL11519299 0.79 KMT2A (0.56) GPR84FFAR1FFAR4TDP1KMT2A

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