SCHEMBL8050892

SCHEMBL8050892

Cc1cc(OCC=C(Br)Br)cc(C)c1OCCCN

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
PLAU P00749 3/20 0.34
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
CARM1 Q86X55 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
SCHEMBL7979192 0.96 KDM4E (0.38) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7982158 0.94 KDM4E (0.37) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7982095 0.93 PLAU (0.40) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7982351 0.91 KDM4E (0.38) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7981988 0.90 KDM4E (0.32) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7981970 0.87 KDM4E (0.40) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8409409 0.87 KDM4E (0.37) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8408748 0.87 KDM4E (0.37) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8405318 0.87 KDM4E (0.37) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8063193 0.86 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6

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
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
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP 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