SCHEMBL7979323

SCHEMBL7979323

CCc1cc(OCC=C(Br)Br)cc(C)c1OCCN

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.36
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP2 P50579 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL7981988 0.94 KDM4E (0.32) PLAUKDM4EALDH1A1MEN1CYP1A2
SCHEMBL8063193 0.93 KDM4E (0.34) PLAUKDM4EALDH1A1MEN1CYP1A2
SCHEMBL7965858 0.91 THRA (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7982095 0.89 PLAU (0.40) PLAUKDM4EALDH1A1MEN1CYP1A2
SCHEMBL7977758 0.87 PLAU (0.37) PLAUKDM4EALDH1A1METAP2GAA
SCHEMBL8407658 0.87 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8407472 0.87 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8408370 0.87 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8409064 0.86 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8405671 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
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