SCHEMBL7979250

SCHEMBL7979250

O=C(NCCCOc1c(Br)cc(OCC=C(Cl)Cl)cc1Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.48
RHOA P61586 2/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PPARD Q03181 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 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
SCHEMBL7977795 0.97 RHOC (0.45) RHOCRHOANPC1RAB9AHPGD
SCHEMBL7977739 0.90 RHOC (0.51) RHOCRHOAHPGDSMN1; SMN2EPHX2
SCHEMBL7979570 0.89 RHOC (0.47) RHOCRHOANPC1RAB9AHPGD
SCHEMBL8050888 0.89 NPC1 (0.47) RHOCRHOANPC1RAB9AHPGD
SCHEMBL7982192 0.88 SCN9A (0.46) RHOCRHOAPPARD
SCHEMBL7976273 0.88 RHOC (0.47) RHOCRHOANPC1RAB9AHPGD
SCHEMBL8080574 0.87 RHOC (0.51) RHOCRHOANPC1RAB9AHPGD
SCHEMBL8651186 0.87 RHOC (0.60) RHOCRHOANPC1RAB9AHPGD
SCHEMBL8060846 0.87 RHOC (0.47) RHOCRHOANPC1RAB9AEPHX2
SCHEMBL7965856 0.86 RHOC (0.48) RHOCRHOARAB9AEPHX2ALDH1A1

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
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