SCHEMBL21574871

SCHEMBL21574871

NN1CCOCCOCCN(N)CCOCCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
MGLL Q99685 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 5/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KEAP1 Q14145 1/20 0.36
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA2 P00918 3/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 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
SCHEMBL21534079 1.00 TTR (0.43) TTRMGLLKDM4ESMN1; SMN2CA12
SCHEMBL42607 0.96
Bromide SCHEMBL28185083 0.93
Hydrochloric Acid SCHEMBL7825024 0.93
Methane SCHEMBL28130731 0.93
SCHEMBL28247319 0.93
Cyclopropane SCHEMBL17713820 0.90 TSHR (0.39) TTRMGLLKDM4ESMN1; SMN2CA12
Benzene SCHEMBL29188795 0.87 LMNA (0.44) MGLLKDM4ESMN1; SMN2CA12CA7
Propane SCHEMBL27593999 0.84 SMN1; SMN2 (0.37) MGLLKDM4ESMN1; SMN2CA12CA7
SCHEMBL13654321 0.84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3794061-B1 PHOSPHORUS CONTAINING OLIGOMERS AND POLYMERS EMPA EIDGENOESSISCHE MAT & FORSCHUNGSANSTALT (CH) 2023-07-05 EP disclosed
EP-3569641-A1 PHOSPHORUS CONTAINING OLIGOMERS AND POLYMERS EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) 2019-11-20 EP disclosed