SCHEMBL25824412

SCHEMBL25824412

CC(=O)OCc1cn(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.40
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 3/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL14438657 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HTTCYP2C19
SCHEMBL20870266 0.81 SMN1; SMN2 (0.38) ALDH1A1KDM4EHSD17B10HTTCYP2C19
SCHEMBL24420115 0.79 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HTTCYP2C19
SCHEMBL21637955 0.78 SMN1; SMN2 (0.36) ALDH1A1HTTCYP2C19SMN1; SMN2GAA
SCHEMBL18858876 0.78 MET (0.39) ALDH1A1HTTCYP2C19SMN1; SMN2
SCHEMBL27057530 0.78 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HTTCYP2C19
SCHEMBL10137841 0.77 SMN1; SMN2 (0.41) ALDH1A1HTTCYP2C19SMN1; SMN2GAA
SCHEMBL14438658 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HTTCYP2C19
SCHEMBL26608016 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EHTTCYP2C19KMT2A
SCHEMBL24450047 0.69 DAO (0.39) ALDH1A1KDM4EHSD17B10HTTCYP2C19

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-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed