SCHEMBL21696396

SCHEMBL21696396

CC(C)CCNS(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
SCHEMBL2736105 0.78 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL19996824 0.70 KMT2A (0.39) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1300241 0.70 GRIA1 (0.39) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL18198023 0.70 GRIA1 (0.62) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL966015 0.70 CA1 (0.50) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2581603 0.69 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL19996825 0.69 GRIA1 (0.43) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3204936 0.68 CA12 (0.40) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL40975 0.67 LMNA (0.35) KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12384308 0.66 CA1 (0.36) KMT2AALDH1A1SMN1; SMN2HTT

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-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed