SCHEMBL28969320

SCHEMBL28969320

CCCCC(C)C(C)(C)OOC(C)(C)C(C)CCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
FDPS P14324 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
OPRM1 P35372 1/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 2/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11139357 0.85 DNM1 (0.35) DNM1FDPSTSHRSMN1; SMN2CA2
SCHEMBL325595 0.84 TSHR (0.32) TSHR
SCHEMBL2310735 0.81 CTSK (0.33) DNM1FDPSTSHRSMN1; SMN2CA2
SCHEMBL11142939 0.78 OPRM1 (0.42) FDPSCA1OPRM1
SCHEMBL1030588 0.78 CYP3A4 (0.41) FDPSTSHRSMN1; SMN2CA2CA1
SCHEMBL10878581 0.78 FDPS (0.34) FDPSCA2CA1L3MBTL1MAPK1
SCHEMBL5473642 0.78 DNM1 (0.34) DNM1FDPSTSHRSMN1; SMN2CA2
SCHEMBL28647776 0.78 DNM1 (0.34) DNM1FDPSTSHRSMN1; SMN2CA2
SCHEMBL402782 0.76 OPRM1 (0.41) DNM1FDPSTSHRCA2OPRM1
SCHEMBL821821 0.76 OPRM1 (0.41) DNM1FDPSTSHRCA2OPRM1

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-115667319-A Organic peroxide emulsions with ethanol 阿科玛法国公司 2023-01-31 CN disclosed