SCHEMBL11118540

SCHEMBL11118540

CCOC(=O)/C=C(\Br)C(C)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 5/20 0.36
TRPA1 O75762 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 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
SCHEMBL11118542 1.00 NPSR1 (0.48) NPSR1HCAR2ALDH1A1TRPA1LMNA
SCHEMBL10879059 0.77 NPSR1 (0.46) NPSR1HCAR2ALDH1A1TRPA1LMNA
SCHEMBL10879052 0.77 NPSR1 (0.46) NPSR1HCAR2ALDH1A1TRPA1LMNA
SCHEMBL7146632 0.74
SCHEMBL7146636 0.74
SCHEMBL9855608 0.72 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL7901594 0.72 NPSR1 (0.54) NPSR1HCAR2ALDH1A1TRPA1LMNA
SCHEMBL7901599 0.72 NPSR1 (0.54) NPSR1HCAR2ALDH1A1TRPA1LMNA
SCHEMBL15482730 0.71 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL4254685 0.71 NPSR1 (0.63) NPSR1HCAR2ALDH1A1TRPA1LMNA

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-0101094-A1 Cyanophenoxy-phenoxypentenoic acid derivative, process for the preparation thereof and herbicide composition containing the same Kanesho Co., Ltd. (JP) 1984-02-22 EP disclosed