SCHEMBL8800253

SCHEMBL8800253

C=CCC(O)(CCCCCCC)Cn1cncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 2/20 0.38
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10819000 0.87 FDPS (0.46) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL9010566 0.84 FDPS (0.44) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL7862423 0.83 CYP3A4 (0.45) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL9517698 0.82 FDPS (0.50) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL11083531 0.82 FDPS (0.45) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL10816070 0.82 FDPS (0.42) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL9863651 0.77 FDPS (0.44) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL9770607 0.77 CYP3A4 (0.58) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL9770830 0.77 CYP3A4 (0.58) FDPSCYP3A4ALDH1A1HSP90AA1LMNA
SCHEMBL8803230 0.77 FDPS (0.36) FDPSCYP3A4ALDH1A1HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577145-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1997-03-19 EP claimed
EP-0385076-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-07-20 EP claimed
EP-0254857-B1 USE OF 1-ARYL-3-HYDROXY-3-ALKYL-4-(1,2,4-TRIAZOL-1-YL)-BUTANE DERIVATIVES AS MICROBICIDAL AGENTS FOR PROTECTING MATERIALS BAYER AG (DE) 1993-04-07 EP claimed
JP-2282307-A None JP disclosed
EP-0577145-A1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG GmbH (DE) 1994-01-05 EP disclosed
US-5248450-A Pyrethroid insecticides, fungicides DESOWAG MATERIALSCHUTZ GMBH (DE) 1993-09-28 US disclosed
US-5248450-A Pyrethroid insecticides, fungicides DESOWAG MATERIALSCHUTZ GMBH (DE) 1993-09-28 US disclosed
EP-0254857-B1 USE OF 1-ARYL-3-HYDROXY-3-ALKYL-4-(1,2,4-TRIAZOL-1-YL)-BUTANE DERIVATIVES AS MICROBICIDAL AGENTS FOR PROTECTING MATERIALS BAYER AG (DE) 1993-04-07 EP disclosed
JP-H02282307-A CHEMICAL AGENT OR CONCENTRATE FOR PRESERVING WOOD OR WOOD MATERIAL DESOWAG MATERIALSCHUTZ GMBH 1990-11-19 JP disclosed
EP-0387510-A1 Substituted 8-carbamoyloxy-quinoline derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1990-09-19 EP disclosed
EP-0385076-A1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG Materialschutz GmbH (DE) 1990-09-05 EP disclosed
EP-0254857-A3 USE OF 1-ARYL-3-HYDROXY-3-ALKYL-4-(1,2,4-TRIAZOL-1-YL)-BUTANE DERIVATIVES AS MICROBICIDAL AGENTS FOR PROTECTING MATERIALS 1990-02-28 EP disclosed
US-4757139-A 5-fluoro-2'-deoxyuridine derivative, processes for preparing same and antitumor composition containing the same TEIJIN LIMITED (JP) 1988-07-12 US disclosed
EP-0254857-A2 Use of 1-aryl-3-hydroxy-3-alkyl-4-(1,2,4-triazol-1-yl)-butane derivatives as microbicidal agents for protecting materials BAYER AG (DE) 1988-02-03 EP disclosed
EP-0254857-A2 Use of 1-aryl-3-hydroxy-3-alkyl-4-(1,2,4-triazol-1-yl)-butane derivatives as microbicidal agents for protecting materials BAYER AG (DE) 1988-02-03 EP disclosed