SCHEMBL7795344

SCHEMBL7795344

[CH2]C[CH]c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.42
HSD11B1 P28845 2/20 0.38
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FBP1 P09467 1/20 0.35
IDO1 P14902 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL7428108 0.77 NFE2L2 (0.41) NFE2L2HSD11B1APPPTGS1ALDH1A1
SCHEMBL654529 0.76 NFE2L2 (0.48) NFE2L2HSD11B1APP
SCHEMBL1386307 0.76 NFE2L2 (0.44) NFE2L2HSD11B1APPPTGS1ALDH1A1
SCHEMBL7428113 0.75 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL8548176 0.75 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL7801924 0.74 ALDH5A1 (0.52) NFE2L2HSD11B1APPPTGS1ALDH1A1
SCHEMBL7795364 0.74 CYP2A6 (0.52) NFE2L2PTGS1L3MBTL1FBP1IDO1
SCHEMBL11144431 0.74 APP (0.37) APPALDH1A1IDO1
SCHEMBL7803552 0.74 HSD17B10 (0.52) L3MBTL1FBP1IDO1
SCHEMBL11140842 0.74 CYP2A6 (0.42) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865441-B1 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS AND THE USE THEREOF AS A PEST CONTROL AGENT OR AS A MICROBICIDE BAYER AG (DE) 2001-02-14 EP claimed
EP-0865441-B1 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS AND THE USE THEREOF AS A PEST CONTROL AGENT OR AS A MICROBICIDE BAYER AG (DE) 2001-02-14 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0865441-A1 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS AND THE USE THEREOF AS A PEST CONTROL AGENT OR AS A MICROBICIDE BAYER AG (DE) 1998-09-23 EP disclosed
WO-1997020840-A1 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS AND THE USE THEREOF AS A PEST CONTROL AGENT OR AS A MICROBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-06-12 WO disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed