SCHEMBL9577875

SCHEMBL9577875

Clc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 11/20 0.41
SLC6A4 P31645 10/20 0.41
SLC6A2 P23975 9/20 0.40
CHRNA1 P02708 7/20 0.40
CHRNB1 P11230 7/20 0.40
CHRNB2 P17787 7/20 0.40
CHRNB4 P30926 7/20 0.40
CHRNA3 P32297 7/20 0.40
CHRNA4 P43681 7/20 0.40
CHRNG P07510 5/20 0.40
CHRND Q07001 5/20 0.40
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.35
CCR2 P41597 1/20 0.34
ICMT O60725 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL10561360 0.86 HTR2C (0.38) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL8534937 0.82 CHRNA1 (0.34) SLC6A3SLC6A2CHRNA1CHRNB1CHRNB2
SCHEMBL9173333 0.82 CHRNA1 (0.34) SLC6A3SLC6A2CHRNA1CHRNB1CHRNB2
SCHEMBL11682414 0.82 CHRNA1 (0.41) HTR2CHTR2ASLC6A3SLC6A4SLC6A2
SCHEMBL11461500 0.82 CHRNA1 (0.40) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL11684978 0.82 HTR2A (0.41) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL9865542 0.81 SLC6A3 (0.38) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL9819493 0.81 SLC6A3 (0.44) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL10486440 0.80 HTR1A (0.36) HTR2CHTR2AHTR2BSLC6A3SLC6A2
SCHEMBL7787371 0.79 HTR2C (0.43) HTR2CHTR2AHTR2BSLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260259-A Hydrophobic herbicide susceptible to hydrolysis DOWELANCO (US) 1993-11-09 US claimed
US-4018801-A PESTICIDES THE DOW CHEMICAL COMPANY (US) 1977-04-19 US claimed
US-3930835-A PESTICIDAL COMPOSITIONS AND METHODS EMPLOYING SUBSTITUTED OXIRANE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1976-01-06 US claimed
US-5260259-A Hydrophobic herbicide susceptible to hydrolysis DOWELANCO (US) 1993-11-09 US disclosed
US-5154749-A Dissolving herbicide in a solvent, mixing with polymeric dispersion latex, agitation until absorption of herbicide by discrete polymeric phase, removal of solvent DOWELANCO (US) 1992-10-13 US disclosed
EP-0081351-A1 Herbicidal triazinyl compositions with an epoxy butane and method of using THE DOW CHEMICAL COMPANY (US) 1983-06-15 EP disclosed
US-4211549-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1980-07-08 US disclosed
US-4018801-A PESTICIDES THE DOW CHEMICAL COMPANY (US) 1977-04-19 US disclosed
US-4013772-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1977-03-22 US disclosed
US-3930835-A PESTICIDAL COMPOSITIONS AND METHODS EMPLOYING SUBSTITUTED OXIRANE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1976-01-06 US disclosed