SCHEMBL8178017

SCHEMBL8178017

O=S(=O)(O)c1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
ACLY P53396 3/20 0.43
S100A4 P26447 2/20 0.43
PGR P06401 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ITGA1 P56199 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NAT1 P18440 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HSD11B1 P28845 1/20 0.40
FABP4 P15090 1/20 0.40
KIF18A Q8NI77 1/20 0.40
KAT6A Q92794 1/20 0.39
FBP1 P09467 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL7173896 0.89 S100A4 (0.42) PTGDR2S100A4HSP90AA1GRIK1GRIK2
SCHEMBL6562906 0.86 ACLY (0.47) PTGDR2ACLYS100A4PGRKMT2A
SCHEMBL3039623 0.85 S100A4 (0.46) PTGDR2ACLYS100A4PGRKMT2A
SCHEMBL2841309 0.85 S100A4 (0.48) S100A4ITGA1HSP90AA1GRIK1GRIK2
SCHEMBL4905860 0.84 LMNA (0.39) S100A4KMT2AMEN1HSP90AA1FABP4
Hydrochloric Acid SCHEMBL2766272 0.84 ACLY (0.46) PTGDR2ACLYS100A4PGRKMT2A
SCHEMBL7584026 0.82 PTGS2 (0.50) PTGDR2ACLYS100A4KMT2AMEN1
SCHEMBL27406144 0.80 TSHR (0.48) PTGDR2KDM4E
SCHEMBL8365855 0.80 ALOX5 (0.52) KMT2AMEN1KDM4E
SCHEMBL27576808 0.79 ACLY (0.50) PTGDR2ACLYKAT6A

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 US disclosed
US-5470984-A Insecticides, molluscicides SHELL RESEARCH LIMITED (GB) 1995-11-28 US disclosed
US-5354762-A Insecticides ROHM AND HAAS COMPANY (US) 1994-10-11 US disclosed
US-5342958-A Insecticides SOLVAY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-08-30 US disclosed
EP-0338685-B1 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles SHELL INT RESEARCH (NL) 1994-06-29 EP disclosed
US-5319092-A Insecticides, miticides, aphidicides, molluscicides and plant growth regulators SHELL RESEARCH LIMITED (GB) 1994-06-07 US disclosed
EP-0311284-B1 Insecticidal hydrogenated neem extracts ROHM & HAAS (US) 1994-04-06 EP disclosed
US-5245071-A Insecticides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-09-14 US disclosed
EP-0347216-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYLHYDRAZINES AND N'-SUBSTITUTED -N-ACYL-N'-ALKYLCARBONYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1993-09-01 EP disclosed
US-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
US-3960947-A FORMAMIDINE COMPOUNDS, PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-06-01 US disclosed
US-3956306-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3948940-A Pesticidal phthalimido phosphorous ester compounds CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3941829-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed
US-3940412-A 2,4,5-Trichloro- and 2,4,5-tribromoimidazole derivatives and pesticidal compositions containing them CIBA-GEIGY AG (CH) 1976-02-24 US disclosed
US-3935224-A 4H-Pyrido[3,2a]-1,3,2-dioxophosphorane derivatives CIBA-GEIGY CORPORATION (US) 1976-01-27 US disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 1976-01-20 US disclosed
US-3933945-A O-ethyl-S-(n)propyl-S-diallylcarbmoylmethyldithiophosphate CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3932629-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed
US-3932630-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed