SCHEMBL7715765

SCHEMBL7715765

CCOC(=O)C(C#N)CCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 9/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10335401 0.86 EPHX2 (0.46) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL11357277 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL8630419 0.79 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL14720157 0.78 ALDH1A1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11203242 0.76 TDP1 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11201201 0.74 TDP1 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL7712694 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11358836 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11367419 0.73 TDP1 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL10419232 0.73 PPARA (0.46) ALDH1A1MAPTKDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed
US-5045105-A Use of derivatives of n-phenyl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
US-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed