SCHEMBL6524015

SCHEMBL6524015

CCOCCC(CC(=O)OC1CCCCC1)=C(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
EPHX1 P07099 2/20 0.38
HTT P42858 3/20 0.38
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL6516043 0.88 NAAA (0.53) NAAAEPHX1HTTALDH1A1EPHX2
SCHEMBL6519179 0.86 NAAA (0.39) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL6517109 0.85 NAAA (0.54) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL6522376 0.84 NAAA (0.44) NAAAEPHX1HTTPOLBKDM4E
SCHEMBL6521092 0.84 HTT (0.44) NAAAEPHX1HTTKDM4ECYP2C19
SCHEMBL6517220 0.82 HTT (0.41) NAAAEPHX1HTTKDM4ECYP2C19
SCHEMBL6523763 0.82 POLB (0.38) HTTPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL20210597 0.78 NAAA (0.60) NAAAEPHX1HTTPOLBKDM4E
SCHEMBL9323732 0.78 NAAA (0.60) NAAAEPHX1HTTPOLBKDM4E
SCHEMBL1070357 0.78 FNTA (0.37) POLBKDM4EALDH1A1SMN1; SMN2TSHR

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed