SCHEMBL28197943

SCHEMBL28197943

CCOC(=O)C(Cn1c(=O)[nH]c(=O)[nH]c1=O)=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
GLO1 Q04760 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
ELANE P08246 1/20 0.31
RECQL P46063 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6685767 0.70 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10MAPT
SCHEMBL28309445 0.69 ALDH1A1 (0.38) SMN1; SMN2KMT2AALDH1A1LMNAHSD17B10
SCHEMBL5481212 0.69 SMN1; SMN2 (0.33) SMN1; SMN2GLO1
SCHEMBL28006095 0.68 ALDH1A1 (0.34) SMN1; SMN2KMT2AALDH1A1GSK3AGSK3B
SCHEMBL19755021 0.67 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1GLO1GAA
SCHEMBL3366882 0.67 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1GLO1GAA
SCHEMBL1247958 0.66 ALDH1A1 (0.37) KMT2AALDH1A1GAAHSD17B10POLB
SCHEMBL28004954 0.66 TSHR (0.43) ALDH1A1POLBTDP1TSHR
Ammonia Solution, Strong SCHEMBL27502214 0.66 ALDH1A1 (0.46) SMN1; SMN2KMT2AALDH1A1GLO1GAA
Ethyl Acetate SCHEMBL27833059 0.66 ALDH1A1 (0.67) SMN1; SMN2KMT2AALDH1A1GAALMNA

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
CN-105125415-B The preparation method of the dentistry compound resin material of oligomerization shrinkage factor 吉林省登泰克牙科材料有限公司 2018-01-16 CN disclosed