SCHEMBL7975928

SCHEMBL7975928

NCCCCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.44
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
HRH3 Q9Y5N1 2/20 0.33
ICMT O60725 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL7979018 0.99 KLK1 (0.42) KLK1THRATHRBHRH3ICMT
SCHEMBL7979639 0.94 KLK1 (0.40) KLK1THRATHRBHRH3ICMT
SCHEMBL7979627 0.90 KLK1 (0.37) KLK1THRATHRBHRH3ICMT
SCHEMBL7979431 0.89 KLK1 (0.44) KLK1THRATHRBHRH3ICMT
SCHEMBL7975926 0.87 PLAU (0.39) KLK1THRBKDM4ES1PR2S1PR1
SCHEMBL7975940 0.87 KLK1 (0.42) KLK1THRATHRBHRH3ICMT
SCHEMBL8408377 0.87 KLK1 (0.41) KLK1THRATHRBHRH3KDM4E
SCHEMBL7981958 0.86 PLAU (0.40) KLK1THRBKDM4E
SCHEMBL8405765 0.85 KLK1 (0.40) KLK1THRATHRBHRH3KDM4E
SCHEMBL8408920 0.85 KLK1 (0.43) KLK1THRATHRBHRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed