SCHEMBL2531310

SCHEMBL2531310

CC(C)CCCC(=O)CCCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CA1 P00915 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
BLM P54132 1/20 0.38
PTPN1 P18031 2/20 0.37
KDM1A O60341 1/20 0.37
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL2533303 0.98 GPR84 (0.44) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL2523653 0.98 GPR84 (0.44) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL21623743 0.93 KDM4C (0.44) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL2533371 0.93 CA1 (0.41) CA1KDM4EKDM4CKDM4APHF8
SCHEMBL2529668 0.91 CA1 (0.44) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL2529894 0.89 KDM4E (0.47) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL2532066 0.89 KDM4E (0.47) GPR84FFAR1FFAR4CA1KDM4E
SCHEMBL2531343 0.88 CA1 (0.41) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL5613242 0.88 CA1 (0.48) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL4575366 0.85 KDM4C (0.47) FFAR1FFAR4CA1KDM4CKDM4A

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