SCHEMBL21710132

SCHEMBL21710132

CC(C)C(=O)OCCNC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
TP53BP1 Q12888 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
SCHEMBL17680407 0.82 POLB (0.36) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL23992744 0.81 SLC7A5 (0.34) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL23747271 0.80 CA1 (0.40) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL13130761 0.79 POLB (0.36) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL14608698 0.78 ALDH1A1 (0.43) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL14467080 0.77 NPC1 (0.42) GAAPOLB
SCHEMBL28764284 0.77 LMNA (0.43) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL13029064 0.77 GAA (0.40) GAAPOLBKDM4EALDH1A1NMT2
SCHEMBL17010894 0.76 POLB (0.38) POLBKDM4EALDH1A1
SCHEMBL12835742 0.76 ADRB2 (0.41) GAAKDM4EALDH1A1ADRB2

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-20200048404-A1 PHOTO-CURABLE COMPOSITION, RESIN, BLOCKED ISOCYANATE, AND METHOD FOR MANUFACTURING THREE-DIMENSIONAL OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 US disclosed