SCHEMBL8065618

SCHEMBL8065618

O=C(NCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.52
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
NPC1 O15118 2/20 0.42
PPARD Q03181 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL8065652 0.97 TRPV1 (0.51) TRPV1EPHX2NR1H4PPARDRHOC
SCHEMBL7977739 0.87 RHOC (0.51) TRPV1EPHX2PPARDRHOCRHOA
SCHEMBL7977645 0.86 EPHX2 (0.48) EPHX2NPC1MCHR1
SCHEMBL8077400 0.85 MAPT (0.47) NPC1RHOCRHOA
SCHEMBL7977366 0.84 NPC1 (0.48) NPC1RHOCRHOA
SCHEMBL8627241 0.84 HTT (0.40) TRPV1EPHX2
SCHEMBL8060846 0.84 RHOC (0.47) EPHX2NPC1PPARDRHOCRHOA
SCHEMBL8628024 0.83 SCN9A (0.41) TRPV1EPHX2
SCHEMBL8060882 0.83 RAB9A (0.50) EPHX2NR1H4NPC1RHOCRHOA
SCHEMBL8065679 0.83 NPC1 (0.56) NPC1

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
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