SCHEMBL8539090

SCHEMBL8539090

CCCON(CCBr)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 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
SCHEMBL8773036 0.86 ALDH1A1 (0.37) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL8773021 0.76 CHRNB2 (0.39) ALDH1A1LMNACA12CA2CA9
SCHEMBL8773042 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL6461668 0.74 ALDH1A1 (0.44) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL4998068 0.73 ALDH1A1 (0.35) ALDH1A1TRPA1CA12CA2CA9
SCHEMBL8773030 0.72 ALDH1A1 (0.47) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL8773029 0.71 CA12 (0.31) CA12CA2CA9
SCHEMBL6463761 0.71 ALDH1A1 (0.41) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Bromide SCHEMBL9420993 0.71 ALDH1A1 (0.41) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL4998298 0.70 CA12 (0.38) ALDH1A1TRPA1LMNAGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592676-B1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL IND LTD (JP) 1998-09-30 EP disclosed
US-5686390-A Iminosulfonylurea derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-11-11 US disclosed
US-5604179-A PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-02-18 US disclosed
US-5500406-A 1-AZOLYLIDENEIMINIOSULFONYL-3-PYRIMIDIN-2-YL UREAS; LOW DOSAGE; HIGH SELECTIVITY; CROPS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-03-19 US disclosed
EP-0592676-A1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-04-20 EP disclosed