SCHEMBL7184571

SCHEMBL7184571

CC=CC(=O)Oc1ccccc1C(CCCCCC)C([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 4/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
RAB9A P51151 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
PPARA Q07869 1/20 0.34
POLM Q9NP87 1/20 0.33
POLK Q9UBT6 1/20 0.33
POLL Q9UGP5 1/20 0.33
POLH Q9Y253 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
SCHEMBL7184564 1.00 PPARG (0.40) PPARGTHRATHRBGAAHPGD
Trifluralin SCHEMBL9815631 0.83 TDP1 (0.47) GAAHPGDL3MBTL1RAB9A
SCHEMBL9842852 0.83 THRA (0.44) PPARGTHRATHRBZDHHC2PTGS2
SCHEMBL9842860 0.83 THRA (0.44) PPARGTHRATHRBZDHHC2PTGS2
SCHEMBL7184575 0.77 THRA (0.42) PPARGTHRATHRBGAAHPGD
SCHEMBL9815640 0.75 PRSS1 (0.39) PPARGPRSS1PRSS2PRSS3CYSLTR2
SCHEMBL1858014 0.73 THRA (0.49) PPARGTHRATHRBHPGDL3MBTL1
SCHEMBL11557112 0.73 THRA (0.49) PPARGTHRATHRBHPGDL3MBTL1
SCHEMBL15167151 0.72 SMN1; SMN2 (0.34) PPARGTHRATHRBZDHHC2L3MBTL1
SCHEMBL54669 0.72 SMN1; SMN2 (0.34) PPARGTHRATHRBZDHHC2L3MBTL1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942651-B1 INSECTICIDAL AND MITICIDAL COMPOSITIONS BASF AG (DE) 2003-04-23 EP claimed
US-6337345-B1 CHLORFENAPYR AND FORMAMIDINE INSECTICIDE AMERICAN CYANAMID CO. 2002-01-08 US claimed
EP-0942651-A1 INSECTICIDAL AND MITICIDAL COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1999-09-22 EP claimed
WO-1998023154-A1 INSECTICIDAL AND MITICIDAL COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1998-06-04 WO claimed
EP-0257845-B1 METHOD OF PRODUCING VARIEGATED PLANTS Taguchi, Masayasu (JP) 1991-10-16 EP claimed
EP-0257845-A2 Method of producing variegated plants Taguchi, Masayasu (JP) 1988-03-02 EP claimed
JP-10158103-A None JP disclosed
EP-0942651-B1 INSECTICIDAL AND MITICIDAL COMPOSITIONS BASF AG (DE) 2003-04-23 EP disclosed
EP-0942651-B1 INSECTICIDAL AND MITICIDAL COMPOSITIONS BASF AG (DE) 2003-04-23 EP disclosed
CN-1105497-C Insecticidal and miticidal compositions AMERICAN CYANAMID CO (US) 2003-04-16 CN disclosed
US-6337345-B1 CHLORFENAPYR AND FORMAMIDINE INSECTICIDE AMERICAN CYANAMID CO. 2002-01-08 US disclosed
US-6337345-B1 CHLORFENAPYR AND FORMAMIDINE INSECTICIDE AMERICAN CYANAMID CO. 2002-01-08 US disclosed
CN-1238662-A Insecticidal and miticidal compositions AMERICAN CYANAMID CO (US) 1999-12-15 CN disclosed
EP-0094082-B1 ISOXAZOLINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1986-03-26 EP disclosed
US-4562193-A 4-[2-(Di- or trisubstitutedphenoxy)ethyl amino]thienodipyrimidines and insecticidal and acaricidal composition containing said pyrimidines SANKYO COMPANY LIMITED (JP) 1985-12-31 US disclosed
EP-0057440-B1 AMINOPYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND FUNGICIDAL, INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-22 EP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0094082-A1 Isoxazolinone derivatives, process for their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1983-11-16 EP disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed
US-4007267-A FROM STREPTOMYCES RIMOFACIENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-08 US disclosed