SCHEMBL6516463

SCHEMBL6516463

COCCOC(=O)COC(=O)/C=C/C(=O)OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
EPHX1 P07099 2/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP19A1 P11511 1/20 0.31
EPHX2 P34913 1/20 0.31
POLB P06746 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
SCHEMBL6520745 0.89 NAAA (0.39) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6524390 0.84 NAAA (0.45) NAAAEPHX1HTTRAB9ANPSR1
SCHEMBL6518782 0.84 KMT2A (0.42) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6516578 0.84 RAB9A (0.40) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6516003 0.84 CYP2C19 (0.44) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6523609 0.84 CYP2C19 (0.44) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6514416 0.82 NAAA (0.41) NAAAEPHX1HTTRAB9ACYP2C19
SCHEMBL6523098 0.82 ATM (0.42) RAB9ANPSR1SMN1; SMN2POLB
SCHEMBL6513399 0.80 CYP2C19 (0.46) NAAAEPHX1HTTCYP2C19L3MBTL1
SCHEMBL6521081 0.80 ATM (0.45) RAB9ANPSR1ALDH1A1SMN1; SMN2POLB

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