SCHEMBL11266682

SCHEMBL11266682

O=C(O)C(=C(Cl)Cl)c1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TRPA1 O75762 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CYP3A4 P08684 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
RECQL P46063 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL11259261 0.76
SCHEMBL7912 0.76
SCHEMBL3553222 0.74 MAPT (0.47) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL142183 0.73
SCHEMBL30466241 0.72 TRPA1 (0.43) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL10919338 0.72 CES1 (0.48) MAPTTRPA1CYP3A4PTPN1RECQL
Hydrochloric Acid SCHEMBL4253131 0.72
SCHEMBL27536645 0.72
SCHEMBL564791 0.71 MAPT (0.44) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL8866037 0.71 TRPA1 (0.48) MAPTTRPA1KCNK3KCNK9CYP3A4

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
EP-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 EP disclosed