SCHEMBL15317876

SCHEMBL15317876

CCC(COC)OC(=O)OC1CCCCCCCCC(OC(=O)OC(CC)COC)CCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.39
HTT P42858 2/20 0.35
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSK P43235 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL19669581 0.90 EPHX1 (0.37) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL18286571 0.90 EPHX1 (0.34) EPHX1NAAAHTT
SCHEMBL19669582 0.89 AKT1 (0.38) EPHX1NAAAHTTCYP19A1
SCHEMBL8220029 0.81 EPHX1 (0.44) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL18197561 0.81 AKT1 (0.34)
SCHEMBL15444724 0.79 EPHX1 (0.41) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL6272147 0.78 NAAA (0.39) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL6887454 0.78 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL19669585 0.77 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL19669584 0.76 AKT1 (0.39) EPHX1NAAAHTTCYP2C19CYP19A1

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-20130274401-A1 ADHESIVE COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-10-17 US disclosed