SCHEMBL25599805

SCHEMBL25599805

C1COCCN2CCOCCCOCCN(CCOC1)CCOCCOCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TTR P02766 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.38
CA12 O43570 3/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL11318526 1.00 ALDH1A1 (0.44) ALDH1A1PDK1PDK2PDK3TSHR
SCHEMBL25599807 0.97 ALDH1A1 (0.47) ALDH1A1PDK1PDK2PDK3TSHR
SCHEMBL25599808 0.97 ALDH1A1 (0.47) ALDH1A1PDK1PDK2PDK3TSHR
SCHEMBL11554965 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL11552627 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL27619 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL27017 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL25928 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL11583577 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2
SCHEMBL31229527 0.89 TTR (0.50) ALDH1A1PDK1PDK2PDK3SMN1; SMN2

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-11667731-B2 Stabilized UV active organopalladium compounds as vinyl addition catalysts PROMERUS, LLC (US) 2023-06-06 US disclosed