SCHEMBL7672953

SCHEMBL7672953

CCCCC(C)OC(=O)CC(N)CC(=O)c1ccccc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CTSK P43235 2/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 7/20 0.33
HCRTR2 O43614 7/20 0.33
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7670722 0.83 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGAAKEAP1
SCHEMBL8064604 0.78 ALDH1A1 (0.46) ALDH1A1CTSKHPGDMAPTKDM4E
SCHEMBL8072732 0.75 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8072890 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8071202 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7665567 0.72 MAPT (0.42) ALDH1A1CTSKMAPTKDM4E
SCHEMBL8063159 0.71 KMT2A (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL11825055 0.70 LTA4H (0.45) ALDH1A1MAPTGAAKEAP1KDM4E
SCHEMBL7694919 0.69 MAPT (0.37) ALDH1A1MAPTKDM4E
SCHEMBL7672473 0.69 RAB9A (0.53) ALDH1A1CTSKHPGDMAPTGAA

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-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed