SCHEMBL5500307

SCHEMBL5500307

O=C(O)CCc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GPR17 Q13304 1/20 0.47
DCLRE1B Q9H816 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PLAU P00749 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43

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
SCHEMBL26679325 0.90 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL28426592 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL7073191 0.82 MAPT (0.47) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL5458601 0.82 ABL1 (0.54) ALDH1A1NPSR1KDM4EFFAR1HPGD
SCHEMBL6057229 0.82 FLT1 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL1022607 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1TP53
SCHEMBL32689799 0.81 FFAR1 (0.49) TSHRALDH1A1TP53GPR17HDAC6
SCHEMBL10784805 0.81 NPSR1 (0.47) TSHRTP53CA1CA2NPSR1
SCHEMBL1418003 0.81 HIF1A (0.59) SMN1; SMN2CASP1CA1CA2GPR17
SCHEMBL4699761 0.81 FFAR1 (0.49) TSHRALDH1A1TP53GPR17HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1663384-A Pesticide and its preparing method WANG ZHENGQUAN (CN) 2005-09-07 CN claimed
EP-0756594-B1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES DU PONT (US) 2002-03-13 EP claimed
US-6018071-A Preparation of arthropodicidal ozadiazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-01-25 US claimed
EP-0756594-A1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-05 EP claimed
WO-1995029171-A1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-02 WO claimed
EP-1623980-B1 Preparation of arthropodicidal oxadiazines DU PONT (US) 2007-11-21 EP disclosed
EP-1598332-B1 Indanones and carbamates, and their use in the preparation of anthropodicidal oxadiazines DU PONT (US) 2007-10-24 EP disclosed
EP-1623980-A1 Preparation of arthropodicidal oxadiazines E.I.Du pont de nemours and company (US) 2006-02-08 EP disclosed
EP-1598332-A2 Indanones and carbamates, and their use in the preparation of anthropodicidal oxadiazines E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-23 EP disclosed
EP-1357107-B1 Indanones and carbamate, and their use in the preparation of arthropodicial oxadiazines DU PONT (US) 2005-09-07 EP disclosed
CN-1663384-A Pesticide and its preparing method WANG ZHENGQUAN (CN) 2005-09-07 CN disclosed
EP-1357107-A1 Indanones and carbamate, and their use in the preparation of arthropodicial oxadiazines E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-29 EP disclosed
EP-0756594-B1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES DU PONT (US) 2002-03-13 EP disclosed
US-6232489-B1 RACEMIC MIXTURES, ENANTIOMORPHS E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-15 US disclosed
EP-1048647-A1 N-Chlorocarbonyl-carbamate derivative and its use in the preparation of arthropodicidal oxadiazines E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-11-02 EP disclosed
US-6080856-A Preparation of arthropodicidal oxadiazines E. I. DU PONT NEMOURS AND COMPANY (US) 2000-06-27 US disclosed
US-6018071-A Preparation of arthropodicidal ozadiazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-01-25 US disclosed
US-5869657-A Preparation of arthropodicidal oxadiazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-09 US disclosed
EP-0756594-A1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-05 EP disclosed
WO-1995029171-A1 PREPARATION OF ARTHROPODICIDAL OXADIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-02 WO disclosed