SCHEMBL2532066

SCHEMBL2532066

CC(C)CCC(=O)CCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 2/20 0.43
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
GAA P10253 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2529894 1.00 KDM4E (0.47) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2529668 0.98 CA1 (0.44) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2523653 0.91 GPR84 (0.44) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL21623743 0.91 KDM4C (0.44) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2533303 0.91 GPR84 (0.44) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2533251 0.91 CA1 (0.46) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL2531310 0.89 GPR84 (0.41) KDM4ESMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL10335747 0.84 CA1 (0.48) FFAR4CA1KMT2AMAPTKDM4C
SCHEMBL22443732 0.83 KMT2A (0.59) GPR84FFAR1FFAR4KMT2AMAPT
SCHEMBL8896603 0.83 KMT2A (0.59) GPR84FFAR1FFAR4KMT2AMAPT

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