SCHEMBL22699321

SCHEMBL22699321

CCCCC1(CO)COC2(CCC3(CC2)OCC(CO)(CCCC)CO3)OC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.32
EPHX1 P07099 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
PRKCA P17252 2/20 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
SCHEMBL21422553 0.93 EPHX1 (0.39) EPHX1
SCHEMBL21422491 0.93 SIRT2 (0.39) GAASIRT2
SCHEMBL22699324 0.87
SCHEMBL19218047 0.84
SCHEMBL21299295 0.84
SCHEMBL12346125 0.83 KMT2A (0.35) GAASIRT2
SCHEMBL9619348 0.82 EPHX1 (0.37) GAAEPHX1PRKCA
SCHEMBL621570 0.79 EPHX1 (0.46) GAAEPHX1SIRT2PRKCA
SCHEMBL21283654 0.79 EPHX1 (0.36) GAAKDM4EEPHX1
SCHEMBL19066498 0.78 SIRT2 (0.36) SIRT2

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
EP-3530664-B1 DIOL, PROCESS FOR PRODUCING DIOL, DI(METH)ACRYLATE, AND PROCESS FOR PRODUCING DI(METH)ACRYLATE MITSUBISHI GAS CHEMICAL CO (JP) 2020-11-25 EP disclosed