SCHEMBL401408

SCHEMBL401408

CCC(CC)(C(=O)O)C(S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.39
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ACE P12821 2/20 0.32
CHRM1 P11229 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
SCHEMBL11852962 0.78 RNPEP (0.36) RNPEPTDP1ALDH1A1MEN1KMT2A
SCHEMBL1849072 0.75 RNPEP (0.42) RNPEPTDP1ALDH1A1HPGDHSD17B10
SCHEMBL4951671 0.73 CPT2 (0.41) TDP1ALDH1A1MEN1KMT2ACHRM1
SCHEMBL9276802 0.73 RNPEP (0.41) RNPEPTDP1ALDH1A1HPGDHSD17B10
SCHEMBL9251690 0.73 CPT2 (0.41) TDP1ALDH1A1MEN1KMT2ACHRM1
SCHEMBL8170464 0.73 TP53 (0.35) RNPEPTDP1ALDH1A1MEN1KMT2A
SCHEMBL11460744 0.73 LMNA (0.36) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22202025 0.72 ALDH1A1 (0.33) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2303259 0.72 ALDH1A1 (0.33) TDP1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL11425472 0.72 ALDH1A1 (0.33) TDP1ALDH1A1MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722633-B1 Use of a insecticidal composition againt mosquitoes, namely for impregnation of mosquito nets INST RECH POUR LE DÉVELOPPEMENT IRD (FR) 2014-06-18 EP claimed
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed
EP-1411764-B1 A FENCING DISEASE CONTROL TEXTILES APS (DK) 2004-12-29 EP claimed
US-8663722-B2 Removal of pesticide residues in food by ionizing radiation KING ABDDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-03-04 US disclosed
US-8476482-B2 Removal of pesticide residues in food by ionizing radiation KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-07-02 US disclosed
US-20130129877-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-05-23 US disclosed
US-20120021103-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY SCIENCE AND TECHNOLOGY (SA) 2012-01-26 US disclosed
EP-0289909-B1 ALL AQUEOUS FORMULATIONS OF ORGANO-PHOSPHOROUS PESTICIDES BASF Corporation (US) 1992-09-16 EP disclosed
US-4851217-A All aqueous formulations of organo-phosphorous pesticides BASF CORPORATION (US) 1989-07-25 US disclosed
US-4366103-A TRIALKYL PHOSPHOROTRITHIOITES, ALIPHATIC OR CYCLOALIPHATIC KETONES RHONE-POULENC AGROCHIMIE (FR) 1982-12-28 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed