SCHEMBL7977758

SCHEMBL7977758

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.37
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.31
METAP2 P50579 1/20 0.30
OGG1 O15527 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7975746 0.94 HTT (0.36) PLAUHTTMCL1
SCHEMBL7977565 0.93 HTT (0.35) PLAUHTTMCL1KDM4EALDH1A1
SCHEMBL7978996 0.91 HTT (0.34) HTT
SCHEMBL7978918 0.89 PLAU (0.40) PLAUHTTMCL1OGG1
SCHEMBL8406003 0.88 HTT (0.37) HTTMCL1KDM4EALDH1A1GAA
SCHEMBL7979323 0.87 PLAU (0.36) PLAUMETAP2KDM4EALDH1A1GAA
SCHEMBL8405371 0.87 HTT (0.36) HTTMCL1KDM4EALDH1A1GAA
SCHEMBL8409335 0.87 HTT (0.36) HTTMCL1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL6547398 0.86 HTT (0.34) HTT
Hydrochloric Acid SCHEMBL6548434 0.86 HTT (0.34) HTT

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