SCHEMBL28085447

SCHEMBL28085447

O=C1OCCOCC2CCC(CC2)COC(=O)c2ccc1cc2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL28796146 0.88 NPC1 (0.30)
SCHEMBL45095 0.87 KMT2A (0.30)
SCHEMBL850248 0.82
Oxirane SCHEMBL15638093 0.80 LMNA (0.46) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL11037089 0.79
SCHEMBL25421945 0.78 SMN1; SMN2 (0.50) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL5519262 0.78 SMN1; SMN2 (0.50) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL453569 0.78 SMN1; SMN2 (0.50) LMNACRHBPCRHR2SMN1; SMN2HTT
Ethylene Glycol SCHEMBL6034298 0.78 POLB (0.30)
SCHEMBL5925662 0.77 MAPK1 (0.31)

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
CN-105900014-A Polyoxometallate and heteropolyoxometalate compositions and methods of use thereof AZ电子材料卢森堡有限公司 2016-08-24 CN disclosed