SCHEMBL7979170

SCHEMBL7979170

Cc1cc(O)cc(Cl)c1OCCCNC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.53
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
MCHR1 Q99705 1/20 0.45
EPHX2 P34913 2/20 0.45
NPC1 O15118 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
PPARD Q03181 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
SCHEMBL7976020 0.97 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2CYP3A4
SCHEMBL7979069 0.93 TRPV1 (0.57) TRPV1HDAC3HDAC1HDAC2RHOC
SCHEMBL7979022 0.89 TRPV1 (0.56) TRPV1HDAC3HDAC1HDAC2RHOC
SCHEMBL7965640 0.89 RHOC (0.51) TRPV1RHOCRHOAEPHX2NPC1
SCHEMBL7981831 0.88 HDAC3 (0.49) TRPV1HDAC3HDAC1HDAC2MCHR1
SCHEMBL7981926 0.86 NPC1 (0.54) HDAC3HDAC1HDAC2RHOCRHOA
SCHEMBL7965796 0.85 RHOC (0.47) RHOCRHOAEPHX2PPARD
SCHEMBL7977604 0.85 EPHX2 (0.50) TRPV1HDAC3HDAC1HDAC2MCHR1
SCHEMBL7965774 0.84 NPC1 (0.49) NPC1
SCHEMBL7979257 0.83 NPC1 (0.50) HDAC3HDAC1HDAC2RHOCRHOA

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
CN-1187809-A Dihalopropene compound, insecticide containing the same as active ingredient, and production intermediate thereof SUMITOMO CHEMICAL CO (JP) 1998-07-15 CN disclosed