SCHEMBL18286571

SCHEMBL18286571

CCC(COC)OC(=O)OC1CCCCC(OC(=O)OCCOC)CCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
NAAA Q02083 2/20 0.33
HTT P42858 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
AKT3 Q9Y243 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 0.97 EPHX1 (0.37) EPHX1NAAAHTTAKT1AKT2
SCHEMBL15317876 0.90 EPHX1 (0.41) EPHX1NAAAHTT
SCHEMBL18286570 0.87 AKT1 (0.39) EPHX1NAAAHTTAKT1AKT2
SCHEMBL19669582 0.86 AKT1 (0.38) EPHX1NAAAHTTAKT1AKT2
SCHEMBL19669584 0.84 AKT1 (0.39) EPHX1NAAAHTTAKT1AKT2
SCHEMBL15859024 0.83 EPHX1 (0.43) EPHX1NAAAHTT
SCHEMBL18884738 0.83 EPHX1 (0.42) EPHX1NAAAHTT
SCHEMBL16592124 0.81 EPHX1 (0.44) EPHX1NAAAHTT
SCHEMBL19669583 0.81 EPHX1 (0.44) EPHX1NAAAHTT
SCHEMBL18197561 0.80 AKT1 (0.34) AKT1AKT2AKT3

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-9512259-B2 High strength polyurethane foam compositions and methods NOVOMER, INC. (US) 2016-12-06 US disclosed