SCHEMBL60126

SCHEMBL60126

O=C(CCCO)C(O)CCCO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.42
PTPN1 P18031 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TET2 Q6N021 2/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM2A Q9Y2K7 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
SCHEMBL8450101 0.86 GPR84 (0.46) PTPN1GPR84FFAR1FFAR4
SCHEMBL2638024 0.82 CAMK2A (0.36) CAMK2A
SCHEMBL19231631 0.82 CYP2C9 (0.36) CAMK2APTPN1GPR84FFAR1
SCHEMBL16592189 0.81
SCHEMBL1670771 0.81 CAMK2A (0.34) CAMK2A
SCHEMBL16505762 0.78 HIF1A (0.32) GPR84FFAR1FFAR4
SCHEMBL28564669 0.76 GPR84 (0.36) CAMK2APTPN1GPR84FFAR1FFAR4
SCHEMBL31314908 0.75 CAMK2A (0.37) CAMK2AGPR84FFAR1FFAR4
SCHEMBL1819704 0.75 GPR84 (0.33) PTPN1GPR84FFAR1
SCHEMBL16468883 0.74

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159572-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2011-06-30 US disclosed