SCHEMBL6520745

SCHEMBL6520745

COCCOC(=O)/C=C/C(=O)OCC(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
HTT P42858 2/20 0.37
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
EPHX1 P07099 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
CYP19A1 P11511 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 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
SCHEMBL6516463 0.89 NAAA (0.36) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6519700 0.87 NAAA (0.43) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL7040880 0.87 NAAA (0.43) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6516594 0.86 HCAR2 (0.42) NAAAHTTCYP2C19EPHX1HCAR2
SCHEMBL6513399 0.86 CYP2C19 (0.46) NAAAHTTCYP2C19ATMEPHX1
SCHEMBL6514416 0.84 NAAA (0.41) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6516003 0.83 CYP2C19 (0.44) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6523609 0.83 CYP2C19 (0.44) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6523231 0.82 NAAA (0.46) NAAAHTTCYP2C19EPHX1HCAR2
SCHEMBL6521033 0.80 NAAA (0.53) NAAAHTTATMEPHX1HCAR2

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