SCHEMBL7965827

SCHEMBL7965827

O=C(NCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.50
RHOA P61586 2/20 0.50
CA9 Q16790 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
EPHX2 P34913 1/20 0.42
MRGPRX4 Q96LA9 5/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL7976325 0.97 RHOC (0.47) RHOCRHOACA9CA1CA2
SCHEMBL8345044 0.94 RHOC (0.50) RHOCRHOACA9CA1CA2
SCHEMBL8345040 0.94 RHOC (0.50) RHOCRHOACA9CA1CA2
SCHEMBL7977739 0.91 RHOC (0.51) RHOCRHOACA9CA1CA2
SCHEMBL8766542 0.90 RHOC (0.50) RHOCRHOACA9CA1CA2
SCHEMBL8345273 0.90 RHOC (0.50) RHOCRHOACA9CA1CA2
SCHEMBL8051031 0.90 NPC1 (0.47) RHOCRHOAALDH1A1MEN1MAPT
SCHEMBL7976371 0.89 SCN9A (0.45) RHOCRHOAPPARD
SCHEMBL8060846 0.88 RHOC (0.47) RHOCRHOACA9CA1CA2
SCHEMBL7982246 0.87 NPC1 (0.44) RHOCRHOATMEM97SIGMAR1ALDH1A1

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