SCHEMBL11115002

SCHEMBL11115002

COc1ccc(NCCCCl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.70
MAPT P10636 5/20 0.70
PPARG P37231 1/20 0.58
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
APP P05067 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 1/20 0.46
GCGR P47871 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL10056213 0.95 GAA (0.63) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL1030950 0.83 GAA (1.00) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL2097210 0.82 GAA (0.73) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL11168082 0.81 MAPT (0.44) GAAMAPTPPARGALDH1A1KDM4E
SCHEMBL3021452 0.81 GAA (0.77) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL11112945 0.81 GAA (0.70) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL2089444 0.81 GAA (0.70) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL11331749 0.81 GAA (0.70) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL7756137 0.81 GAA (0.54) GAAMAPTPPARGALDH1A1NPC1
SCHEMBL11117500 0.80 MTNR1A (0.59) MAPTPPARGNPC1L3MBTL1MAPK1

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
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed