SCHEMBL6513399

SCHEMBL6513399

O=C(/C=C/C(=O)OCC(=O)OC1CCCCC1)OCC(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
NAAA Q02083 2/20 0.45
HTT P42858 2/20 0.44
CYP19A1 P11511 3/20 0.41
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL7040880 0.98 NAAA (0.43) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6519700 0.98 NAAA (0.43) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6523609 0.96 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6516003 0.96 CYP2C19 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6514416 0.95 NAAA (0.41) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6523231 0.92 NAAA (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6516594 0.90 HCAR2 (0.42) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6520745 0.86 NAAA (0.39) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL7062001 0.86 NAAA (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL6518782 0.84 KMT2A (0.42) CYP2C19NAAAHTTEPHX1ALDH1A1

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