SCHEMBL7706526

SCHEMBL7706526

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 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
SCHEMBL411806 0.88 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL10535054 0.85 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL28515317 0.82 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925032 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925024 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL13858310 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925027 0.82 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL8853779 0.81 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL5524988 0.81 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL23130401 0.80 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP claimed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US claimed
EP-0938509-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-09-01 EP claimed
WO-1999011677-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1999-03-11 WO claimed
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP disclosed
US-6239236-B1 COMPRISING TI, MG, HALOGEN AND AN ELECTRON DONOR COMPOUND SELECTED FROM CYANOESTERS MONTELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-29 US disclosed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US disclosed