SCHEMBL7979022

SCHEMBL7979022

O=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.56
EPHX2 P34913 2/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
PPARD Q03181 1/20 0.48
HDAC2 Q92769 1/20 0.47
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7979069 0.97 TRPV1 (0.57) TRPV1EPHX2HDAC3HDAC1PPARD
SCHEMBL7976020 0.93 TRPV1 (0.52) TRPV1EPHX2HDAC3HDAC1PPARD
SCHEMBL7979170 0.89 TRPV1 (0.53) TRPV1EPHX2HDAC3HDAC1PPARD
SCHEMBL7981788 0.87 RHOC (0.52) EPHX2HDAC3HDAC1PPARDRHOC
SCHEMBL7979398 0.85 HDAC3 (0.51) HDAC3HDAC1HDAC2RHOCRHOA
SCHEMBL27483013 0.84 TRPV1 (0.56) TRPV1EPHX2HDAC3HDAC1PPARD
SCHEMBL7975739 0.84 RHOC (0.56) TRPV1EPHX2RHOCRHOA
SCHEMBL8408521 0.82 MAPT (0.43) TRPV1EPHX2RAB9A
SCHEMBL7979207 0.82 GPR84 (0.51) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL7977604 0.82 EPHX2 (0.50) TRPV1EPHX2HDAC3HDAC1PPARD

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 10 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 claimed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US claimed
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 claimed
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 claimed
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