SCHEMBL8065652

SCHEMBL8065652

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.51
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
PPARD Q03181 2/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
EPHX2 P34913 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
GCGR P47871 1/20 0.41
HDAC2 Q92769 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

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
SCHEMBL8065618 0.97 TRPV1 (0.52) TRPV1RHOCRHOAPPARDEPHX2
SCHEMBL7977739 0.90 RHOC (0.51) TRPV1RHOCRHOAPPARDEPHX2
SCHEMBL8077400 0.88 MAPT (0.47) RHOCRHOA
SCHEMBL7977366 0.88 NPC1 (0.48) RHOCRHOAHDAC3HDAC1HDAC2
SCHEMBL8060846 0.87 RHOC (0.47) RHOCRHOAPPARDEPHX2HDAC3
SCHEMBL8065679 0.86 NPC1 (0.56)
SCHEMBL8060882 0.86 RAB9A (0.50) RHOCRHOAEPHX2NR1H4
SCHEMBL8065540 0.86 NPC1 (0.51) RHOCRHOA
SCHEMBL8075519 0.86 NPC1 (0.49) RHOCRHOAHDAC3HDAC1HDAC2
SCHEMBL8628024 0.85 SCN9A (0.41) TRPV1EPHX2

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