SCHEMBL7427754

SCHEMBL7427754

CC(C)C/C=C(/C=N/O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASF1A Q9Y294 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL7427758 1.00 ASF1A (0.38) ASF1AMAPTPOLBHPGDXBP1
SCHEMBL7417027 0.80 ATM (0.39) CYP1A2NPSR1ATMGAAALDH1A1
SCHEMBL7417031 0.80 ATM (0.39) CYP1A2NPSR1ATMGAAALDH1A1
SCHEMBL28788613 0.79 AKT1 (0.39) ASF1AMAPTHPGDXBP1NPSR1
SCHEMBL2432464 0.79 ALDH1A1 (0.41) ASF1AMAPTHPGDXBP1NPSR1
SCHEMBL28788617 0.79 AKT1 (0.39) ASF1AMAPTHPGDXBP1NPSR1
SCHEMBL891343 0.79 ALDH1A1 (0.41) ASF1AMAPTHPGDXBP1NPSR1
SCHEMBL891499 0.79 ALDH1A1 (0.41) ASF1AMAPTHPGDXBP1NPSR1
SCHEMBL7425803 0.77 NPSR1 (0.35) MAPTPOLBHPGDXBP1FAAH
SCHEMBL7425809 0.77 NPSR1 (0.35) MAPTPOLBHPGDXBP1FAAH

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-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
EP-0705246-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed