SCHEMBL5052879

SCHEMBL5052879

CCCC(C)C(=O)OC1CCCCCCC1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.37
NAAA Q02083 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
EPHX1 P07099 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
METAP2 P50579 1/20 0.30

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
SCHEMBL5052877 0.90 NAAA (0.37) NAAAMEN1ALDH1A1KMT2ACHRM2
SCHEMBL4781335 0.89 CHRM2 (0.37) NAAAMEN1ALDH1A1KMT2ACHRM2
SCHEMBL15373715 0.85 GSR (0.37) GSRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4743509 0.80 NAAA (0.47) NAAAALDH1A1CHRM2CHRM1CHRM3
SCHEMBL16248460 0.80 GSR (0.43) GSRMEN1ALDH1A1KMT2ACHRM2
SCHEMBL16248467 0.80 GSR (0.43) GSRMEN1ALDH1A1KMT2ACHRM2
SCHEMBL4781179 0.79 NAAA (0.40) NAAAMEN1ALDH1A1KMT2ACA1
SCHEMBL10880143 0.78 NAAA (0.46) NAAAMEN1ALDH1A1KMT2ACHRM2
SCHEMBL10297360 0.78 GSR (0.41) GSRMEN1ALDH1A1KMT2ACA1
SCHEMBL4778909 0.78 CA1 (0.46) NAAAALDH1A1KMT2ACA1

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-2012055946-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS MEURICE R&D ASBL (BE) 2012-05-03 WO disclosed