SCHEMBL7524205

SCHEMBL7524205

CCCC(SCCC(C)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
GRIK1 P39086 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIK2 Q13002 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
SCHEMBL723381 0.84 TDP1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2132835 0.81 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4323276 0.79 BHMT (0.47) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL5519541 0.78 EPHX1 (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2132491 0.78 MAPT (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22689615 0.77 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14166456 0.77 EPHX1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2135257 0.77 MAPT (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2138468 0.76 MAPT (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2136537 0.75 MAPT (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-2002016627-A2 SULFUR CONTAINING POLYHYDROXYALKANOATE COMPOSITIONS AND METHOD OF PRODUCTION TEPHA, INC. (US) 2002-02-28 WO claimed