SCHEMBL7977565

SCHEMBL7977565

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCN

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
F2 P00734 3/20 0.32
THRA P10827 2/20 0.30
THRB P10828 2/20 0.30
PLAU P00749 3/20 0.30
PLA2G2A P14555 1/20 0.30
MCL1 Q07820 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7978996 0.99 HTT (0.34) HTTF2THRATHRBPLA2G2A
SCHEMBL7975746 0.96 HTT (0.36) HTTPLAUMCL1
SCHEMBL7977758 0.93 PLAU (0.37) HTTPLAUMCL1KDM4EALDH1A1
SCHEMBL8405371 0.90 HTT (0.36) HTTTHRATHRBPLA2G2AMCL1
SCHEMBL7977636 0.90 HTT (0.37) HTTF2THRATHRBPLAU
Hydrochloric Acid SCHEMBL6548434 0.89 HTT (0.34) HTTTHRATHRB
SCHEMBL8408512 0.89 HTT (0.36) HTTTHRATHRBPLA2G2AMCL1
SCHEMBL7632961 0.89 HTT (0.36) HTTTHRATHRBPLA2G2AMCL1
SCHEMBL8406003 0.89 HTT (0.37) HTTMCL1KDM4EALDH1A1
SCHEMBL7982131 0.89 HTT (0.36) HTTF2THRATHRBPLAU

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-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
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