SCHEMBL6513403

SCHEMBL6513403

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CYP2C19 P33261 1/20 0.49
NAAA Q02083 2/20 0.47
EPHX1 P07099 2/20 0.47
CYP19A1 P11511 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP7 O15540 1/20 0.35

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
SCHEMBL6513394 1.00 HTT (0.50) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6519695 0.98 HTT (0.47) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6519704 0.98 HTT (0.47) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6523230 0.91 NAAA (0.49) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6523232 0.91 NAAA (0.49) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6523604 0.86 HTT (0.43) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6516007 0.86 HTT (0.43) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6523615 0.86 HTT (0.43) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6515998 0.86 HTT (0.43) HTTCYP2C19NAAAEPHX1CYP19A1
SCHEMBL6516587 0.85 HTT (0.45) HTTCYP2C19NAAAEPHX1CYP19A1

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