SCHEMBL5074470

SCHEMBL5074470

Cc1cc(Cl)ccc1OCCCCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
TP53 P04637 1/20 0.66
ALOX15 P16050 1/20 0.66
ALDH1A1 P00352 2/20 0.64
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 1/20 0.55
MRGPRX4 Q96LA9 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
Mcpb SCHEMBL29150193 0.95 KDM4E (0.72) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL117879 0.95 KDM4E (0.72) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL29355091 0.95 KDM4E (0.72) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL5250457 0.94 KDM4E (0.70) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL16835703 0.93 KDM4E (0.68) KDM4ETP53ALOX15ALDH1A1NPSR1
SCHEMBL3667070 0.91 KDM4E (0.65) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL11654380 0.90 KDM4E (0.65) KDM4ETP53ALOX15ALDH1A1NPSR1
SCHEMBL11739981 0.89 KDM4E (0.63) KDM4ETP53ALOX15ALDH1A1NPSR1
Dimethylamine SCHEMBL5310711 0.87 KDM4E (0.64) KDM4ETP53ALOX15ALDH1A1NPSR1
Mcpb SCHEMBL6711015 0.86 KDM4E (0.61) KDM4ETP53ALOX15ALDH1A1NPSR1

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
JP-4118948-B2 2008-07-16 JP claimed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP claimed
CN-1394479-A Synergistic weedicide mixture containing cyclohexene ketoxime ether BASF AG (DE) 2003-02-05 CN claimed
US-6103664-A Synergistic herbicidal mixtures containing cyclohexenone oxime ethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US claimed
JP-2000503297-A 2000-03-21 JP claimed
CN-1200649-A Synergistic herbicidal mixtures comprising cyclohexenone oxime ethers BASF AG (DE) 1998-12-02 CN claimed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP claimed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
CN-1303880-C Synergistic weedicide mixture containing cyclohexene ketoxime ether BASF AG (DE) 2007-03-14 CN disclosed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP disclosed
CN-1394479-A Synergistic weedicide mixture containing cyclohexene ketoxime ether BASF AG (DE) 2003-02-05 CN disclosed
US-6103664-A Synergistic herbicidal mixtures containing cyclohexenone oxime ethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
CN-1200649-A Synergistic herbicidal mixtures comprising cyclohexenone oxime ethers BASF AG (DE) 1998-12-02 CN disclosed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed