SCHEMBL6520737

SCHEMBL6520737

COCC/C(C(=O)O)=C(/CC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
HTT P42858 1/20 0.41
EPHX1 P07099 2/20 0.38
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP19A1 P11511 2/20 0.34
EPHX2 P34913 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 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
SCHEMBL6520751 1.00 NAAA (0.43) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6519179 0.86 NAAA (0.39) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6519704 0.85 HTT (0.47) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6519695 0.85 HTT (0.47) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6513394 0.84 HTT (0.50) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6513403 0.84 HTT (0.50) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL20210432 0.80 NAAA (0.58) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6521037 0.80 NAAA (0.58) NAAAHTTEPHX1EPHX2
SCHEMBL6521026 0.80 NAAA (0.58) NAAAHTTEPHX1EPHX2
SCHEMBL6523230 0.80 NAAA (0.49) NAAAHTTEPHX1CYP2C19SMN1; SMN2

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