SCHEMBL7184569

SCHEMBL7184569

C/C=C/C(=O)Oc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C)c1CCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
PLA2G4B P0C869 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL10596682 1.00 ALDH1A1 (0.37) ALDH1A1ESR1SMN1; SMN2KMT2ATHRA
SCHEMBL27303606 0.83 THRA (0.38) ALDH1A1ESR1SMN1; SMN2KMT2ATHRA
SCHEMBL1858016 0.83 THRA (0.38) ALDH1A1ESR1SMN1; SMN2KMT2ATHRA
SCHEMBL906659 0.76 THRB (0.44) ALDH1A1ESR1THRATHRB
SCHEMBL906661 0.76 THRB (0.44) ALDH1A1ESR1THRATHRB
SCHEMBL28620037 0.75 ALDH1A1 (0.39) ALDH1A1ESR1THRATHRBTDP1
SCHEMBL906419 0.72 TDP1 (0.44) ALDH1A1ESR1KMT2ATHRATHRB
SCHEMBL874774 0.72 TDP1 (0.44) ALDH1A1ESR1KMT2ATHRATHRB
SCHEMBL7184575 0.72 THRA (0.42) THRATHRB
SCHEMBL54670 0.72 THRA (0.34) ALDH1A1ESR1SMN1; SMN2KMT2ATHRA

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 38 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