SCHEMBL9685959

SCHEMBL9685959

C=CC(c1ccccc1)C(C#N)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
MMP8 P22894 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39
MDM4 O15151 1/20 0.39
MAPT P10636 1/20 0.39
MDM2 Q00987 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9686992 0.86 KMT2A (0.47) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL9687500 0.81 MMP8 (0.49) SMN1; SMN2GAAMMP8MEN1KMT2A
SCHEMBL490341 0.81 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1GAAMAPK1MMP8
SCHEMBL9796658 0.80 MMP8 (0.48) SMN1; SMN2GAAMMP8MEN1KMT2A
SCHEMBL2566030 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1GAAMAPK1MMP8
SCHEMBL22262872 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1GAAMAPK1MMP8
SCHEMBL27744339 0.80 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1GAAMAPK1MMP8
SCHEMBL7490890 0.78 MMP8 (0.47) SMN1; SMN2GAAMMP8MEN1KMT2A
SCHEMBL19388060 0.78 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1GAAMAPK1MMP8
SCHEMBL12506132 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1GAAMAPK1MMP8

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-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed