SCHEMBL7981982

SCHEMBL7981982

O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
MCL1 Q07820 2/20 0.39
HPGD P15428 2/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PTK2 Q05397 1/20 0.37
PLAU P00749 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL7981767 0.96 HDAC3 (0.43) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7965964 0.82 MCL1 (0.38) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7977626 0.82 NPC1 (0.53) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7979206 0.82 RAB9A (0.55) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL27481557 0.81 RHOC (0.46) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7979207 0.79 GPR84 (0.51) HDAC3HDAC1ALDH1A1HPGDKMT2A
SCHEMBL7979398 0.79 HDAC3 (0.51) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7975739 0.78 RHOC (0.56) ALDH1A1RHOCRHOAKMT2AGAA
SCHEMBL7977471 0.78 HDAC1 (0.42) HDAC3HDAC1ALDH1A1RHOCRHOA
SCHEMBL7965659 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKMT2ANPC1RAB9A

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-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 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