SCHEMBL2523653

SCHEMBL2523653

CC(C)CCCC(=O)CCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
BLM P54132 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM1A O60341 1/20 0.36
GAA P10253 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL2533303 1.00 GPR84 (0.44) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2531310 0.98 GPR84 (0.41) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL21623743 0.96 KDM4C (0.44) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2529894 0.91 KDM4E (0.47) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2532066 0.91 KDM4E (0.47) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2533371 0.91 CA1 (0.41) KDM4EKDM4CKDM4APHF8KDM2A
SCHEMBL2529668 0.89 CA1 (0.44) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL27535451 0.87 KDM4C (0.44) GPR84FFAR1FFAR4KDM4CKDM4A
SCHEMBL2531343 0.86 CA1 (0.41) KDM4CKDM4APHF8KDM2AMAPT
SCHEMBL8039193 0.86 KDM4C (0.50) FFAR1FFAR4KDM4CKDM4APHF8

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