SCHEMBL678095

SCHEMBL678095

CCCCOc1ccc(Oc2ccc(C(=O)CC3CCCN3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LTA4H P09960 4/20 0.47
ALDH1A1 P00352 4/20 0.46
THRB P10828 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD4 P21917 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL679264 0.82 LTA4H (0.54) HRH2HRH1LTA4H
SCHEMBL679647 0.79 LTA4H (0.62) LTA4HMMP1
Hydrochloric Acid SCHEMBL23236425 0.77 THRA (0.52) ALDH1A1THRBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23236430 0.77 THRA (0.52) ALDH1A1THRBMAPTMEN1KMT2A
SCHEMBL465966 0.77 RARB (0.46) HRH2HRH1L3MBTL1ALDH1A1THRB
SCHEMBL21848527 0.76 KHK (0.45) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13809006 0.75 LTA4H (0.65) LTA4H
Hydrochloric Acid SCHEMBL4312919 0.74 LTA4H (0.64) LTA4H
Hydrochloric Acid SCHEMBL4312916 0.74 LTA4H (0.64) LTA4H
SCHEMBL5742761 0.74 NAAA (0.40) HRH2HRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268692-A1 Synergistic rodenticidal compositions BAYER CROPSCIENCE AG (DE) 2011-11-03 US disclosed
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
EP-1389039-B1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2008-11-12 EP disclosed
US-7008632-B2 Combination of biological and chemical agents to combat rodents BAYER AKTIENGESELLSCHAFT (DE) 2006-03-07 US disclosed
US-20050181003-A1 Rodenticidal bait systems BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
EP-1505872-A1 RODENTICIDAL BAIT SYSTEM Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP disclosed
US-20040247638-A1 Method for controlling harmful rodents in agricultural enterprises BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
EP-1389039-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
US-20040028713-A1 Combination of biological and chemical agents to combat rodents JAKEL, THOMAS, DR. (DE) 2004-02-12 US disclosed
WO-2003094612-A1 RODENTICIDAL BAIT SYSTEM BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-20 WO disclosed
WO-2002091827-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2002-11-21 WO disclosed
US-6036970-A POISONS FOR ANIMALS SUCH AS RODENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-14 US disclosed
EP-0719498-B1 Rodenticidal foams BAYER AG (DE) 1999-05-26 EP disclosed
EP-0789998-B1 Rodenticidal foams BAYER AG (DE) 1998-05-06 EP disclosed
EP-0789998-A1 Rodenticidal foams BAYER AG (DE) 1997-08-20 EP disclosed
EP-0784427-A1 RODENTICIDAL BAIT SYSTEMS BAYER AG (DE) 1997-07-23 EP disclosed
EP-0719498-A1 Rodenticidal foams BAYER AG (DE) 1996-07-03 EP disclosed
WO-1996009758-A1 RODENTICIDAL BAIT SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-04 WO disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed