SCHEMBL4359405

SCHEMBL4359405

[CH2]CCCCCCCCCCCCC(=O)OC1CCCC([S])CCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
TPSAB1 Q15661 4/20 0.32
TPSD1 Q9BZJ3 4/20 0.32
TPSG1 Q9NRR2 4/20 0.32
EPHX2 P34913 1/20 0.32
CYP19A1 P11511 2/20 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
SCHEMBL4354334 1.00 NAAA (0.55) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL4352953 1.00 NAAA (0.55) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL4350706 1.00 NAAA (0.55) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL4359546 1.00 NAAA (0.55) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL4358373 1.00 NAAA (0.55) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL4353097 0.98 NAAA (0.53) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL7692752 0.92 NAAA (0.64) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL7694069 0.90 NAAA (0.61) NAAASMN1; SMN2CYP2C19HTTTPSAB1
SCHEMBL8895696 0.89 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTEPHX2
SCHEMBL8894840 0.89 NAAA (0.69) NAAASMN1; SMN2CYP2C19HTTEPHX2

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-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed