SCHEMBL3930979

SCHEMBL3930979

CCCC(CCCO)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GPR84 Q9NQS5 8/20 0.41
TDP1 Q9NUW8 3/20 0.41
FFAR4 Q5NUL3 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
FFAR1 O14842 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AKR1B1 P15121 1/20 0.41
FFAR3 O14843 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL4629328 0.92 CA2 (0.48) CAMK2AALDH1A1GPR84TDP1FFAR4
SCHEMBL6830568 0.90 FFAR4 (0.52) ALDH1A1GPR84TDP1FFAR4FFAR1
SCHEMBL6720816 0.88 CA2 (0.52) ALDH1A1GPR84TDP1FFAR4FFAR1
SCHEMBL4067123 0.88 ALDH1A1 (0.50) ALDH1A1GPR84TDP1FFAR4HDAC1
SCHEMBL11852150 0.87 HDAC1 (0.52) ALDH1A1GPR84TDP1FFAR4HDAC1
SCHEMBL6690683 0.87 HDAC1 (0.52) ALDH1A1GPR84TDP1FFAR4HDAC1
SCHEMBL3859826 0.86 FFAR4 (0.55) ALDH1A1GPR84TDP1FFAR4FFAR1
SCHEMBL11294146 0.85 HDAC1 (0.50) ALDH1A1GPR84TDP1FFAR4HDAC1
SCHEMBL9065203 0.85 GPR84 (0.59) ALDH1A1GPR84TDP1FFAR4FFAR1
SCHEMBL8984375 0.85 FFAR4 (0.50) ALDH1A1GPR84TDP1FFAR4FFAR1

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
WO-2009127009-A1 CONDENSATION POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO claimed