SCHEMBL8065667

SCHEMBL8065667

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
MCL1 Q07820 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL7965747 0.89 RHOC (0.42) NPC1RAB9AHDAC1RHOCRHOA
SCHEMBL8067282 0.88 NPC1 (0.55) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL7982289 0.85 HDAC1 (0.45) NPC1RAB9AHDAC1RHOCRHOA
SCHEMBL7977739 0.83 RHOC (0.51) RHOCRHOAHPGDSMN1; SMN2ALDH1A1
SCHEMBL7979282 0.83 RHOC (0.42) NPC1RAB9ARHOCRHOAHPGD
SCHEMBL8075519 0.83 NPC1 (0.49) NPC1RAB9AHDAC3HDAC1RHOC
SCHEMBL8060900 0.83 HPGD (0.40) NPC1RAB9AHDAC1RHOCRHOA
SCHEMBL7976279 0.81 ALDH1A1 (0.40) MCL1RHOCRHOAHPGDSMN1; SMN2
SCHEMBL8075601 0.81 GAA (0.53) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL8062091 0.81 RHOC (0.59) HDAC3HDAC1RHOCRHOACA1

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 4 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
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