SCHEMBL7245014

SCHEMBL7245014

O=C(OCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
HTT P42858 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PLAU P00749 1/20 0.32
SERPINE1 P05121 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2350339 0.84 TDP1 (0.48) ESR1HTTPLAUTDP1GAA
SCHEMBL7965943 0.83 MCHR1 (0.38) HTT
SCHEMBL7076143 0.83 L3MBTL1 (0.41) ESR1HTTTDP1
SCHEMBL8665082 0.82 TDP1 (0.51) ESR1HTTPLAUTDP1
SCHEMBL7076310 0.82 ESR1 (0.44) ESR1CES2CES1PLAUSERPINE1
SCHEMBL8407817 0.81 HRH3 (0.45) HTTCES2CES1TDP1
SCHEMBL7245714 0.81 ALDH1A1 (0.44) HTT
SCHEMBL8408364 0.81 ALDH1A1 (0.50) ESR1HTTTDP1GAA
SCHEMBL28411912 0.80 HTT (0.39) HTTPLAUTDP1
SCHEMBL7076187 0.79 L3MBTL1 (0.50) TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589914-B2 The dihalopropene compounds of the general formula (I) have excellent insecticidal/acaricidal activity, so that they are satisfactorily effective for the control of noxious insects, mites and ticks. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-08 US disclosed
US-6376428-B1 Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-23 US disclosed
US-6268313-B1 CONTROLLING INSECTS, MITES, TICKS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-31 US disclosed
EP-0785923-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-04-05 EP disclosed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP disclosed
WO-1996011909-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-25 WO disclosed