SCHEMBL465887

SCHEMBL465887

COc1cccc(C=Cc2ccc(C(=O)CC3CCCN3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.47
MAOB P27338 2/20 0.46
NFE2L2 Q16236 1/20 0.44
CYP19A1 P11511 1/20 0.44
GHSR Q92847 1/20 0.44
BCHE P06276 1/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1B1 Q16678 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
NQO2 P16083 1/20 0.41
KHK P50053 1/20 0.41
CYP2D6 P10635 2/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11348807 0.84 GHSR (0.50) GHSRKHK
Hydrochloric Acid SCHEMBL11382277 0.83 GHSR (0.49) GHSRKHK
SCHEMBL465990 0.79 POLB (0.44) KHKLMNAMAPTHTTSMN1; SMN2
SCHEMBL678709 0.79 POLB (0.44) KHKLMNAMAPTHTTSMN1; SMN2
SCHEMBL465960 0.77 KHK (0.42) MAOBCYP1A2KHKCYP2D6NPC1
SCHEMBL21848527 0.74 KHK (0.45) KHKNPC1MAPTRAB9AHPGD
SCHEMBL2400852 0.72 RELA (0.68) RELAMAOBNFE2L2CYP19A1BCHE
SCHEMBL2400847 0.72 RELA (0.68) RELAMAOBNFE2L2CYP19A1BCHE
SCHEMBL11343167 0.72 KHK (0.52) GHSRKHKMAPTHPGDSMN1; SMN2
SCHEMBL2399827 0.71 NPC1 (0.71) RELAMAOBNFE2L2CYP19A1BCHE

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 21 patents — showing the first 20. 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
EP-2343972-A1 SYNERGISTIC RODENTICIDAL AGENT Bayer CropScience AG (DE) 2011-07-20 EP disclosed
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
WO-2010043322-A1 SYNERGISTIC RODENTICIDAL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO 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
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