SCHEMBL28200879

SCHEMBL28200879

CCOC(=O)C(C#N)C(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
MMP8 P22894 2/20 0.44
PIN1 Q13526 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.40
ANPEP P15144 1/20 0.40

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
SCHEMBL10848456 0.86 ANPEP (0.48) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL13495167 0.79 MMP8 (0.50) SMN1; SMN2L3MBTL1MEN1KMT2AMMP8
SCHEMBL12997993 0.78 MEN1 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL5330174 0.78 TSHR (0.50) SMN1; SMN2L3MBTL1MEN1KMT2AMMP8
SCHEMBL3690028 0.76 MMP8 (0.48) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL16049191 0.76 MMP8 (0.55) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL11546992 0.76 PAM (0.46) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL7391243 0.75 L3MBTL1 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL1287178 0.75 TSHR (0.47) SMN1; SMN2L3MBTL1MEN1KMT2AMMP8
Hydrochloric Acid SCHEMBL11328850 0.75 PIN1 (0.49) SMN1; SMN2L3MBTL1MEN1KMT2AMMP8

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-107573260-A A kind of preparation method of α cyano group β carbonyl propionic acid ester type compounds 浙江工业大学 2018-01-12 CN disclosed