SCHEMBL5582186

SCHEMBL5582186

OCCCCCC(O)CCCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
PSMD14 O00487 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL7756124 0.97 THRB (0.55) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL6029940 0.97 THRB (0.55) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL28807236 0.97 THRB (0.55) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL1746817 0.95 THRB (0.52) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL8624500 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL3970162 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL8696164 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL11695104 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1
1,6-Hexanediol SCHEMBL17982752 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1
SCHEMBL3969645 0.95 THRB (0.58) THRBUSP2CYP3A4SMN1; SMN2PTPN1

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-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed