SCHEMBL6861382

SCHEMBL6861382

CCN(CC)C(=O)OCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
CASP3 P42574 3/20 0.47
SENP8 Q96LD8 3/20 0.47
SENP7 Q9BQF6 3/20 0.47
SENP6 Q9GZR1 3/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL30273423 0.88 MEN1 (0.50) MAPTRAB9ANPC1LMNATSHR
SCHEMBL17092983 0.88 MEN1 (0.50) MAPTRAB9ANPC1LMNATSHR
SCHEMBL3201581 0.82 RAB9A (0.49) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL16965294 0.79 HSD17B10 (0.56) MAPTRAB9ANPC1LMNATSHR
SCHEMBL12482549 0.78 RAB9A (0.56) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL2659085 0.78 RAB9A (0.57) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL3195605 0.77 RAB9A (0.48) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL984297 0.77 L3MBTL1 (0.57) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL9815841 0.77 L3MBTL1 (0.57) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL16665613 0.76 ALDH1A1 (0.58) MAPTNPC1LMNATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797674-B2 FRAGMENT OF A FIBRE CROP HAVING HIGH OIL ABSORBENCY; AND A LIQUID AGROCHEMICALLY ACTIVE INGREDIENT AT ROOM TEMPERATURE OR LIQUID MATTER PREPARED BY DISSOLVING OR DISPERSING AN AGROCHEMICALLY ACTIVE INGREDIENT IN A LIQUID SOLVENT. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-09-28 US disclosed