SCHEMBL7977366

SCHEMBL7977366

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.42
NAMPT P43490 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL7976340 0.97 NPC1 (0.45) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8067253 0.93 NPC1 (0.49) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL7979275 0.93 RHOC (0.45) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL7965830 0.92 NPC1 (0.46) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8065540 0.91 NPC1 (0.51) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8077400 0.91 MAPT (0.47) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8075519 0.91 NPC1 (0.49) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8051031 0.90 NPC1 (0.47) NPC1RHOCRHOAALDH1A1RAB9A
SCHEMBL8060916 0.90 HPGD (0.51) NPC1ALDH1A1RAB9AKMT2AHDAC3
SCHEMBL8050888 0.90 NPC1 (0.47) NPC1RHOCRHOAALDH1A1RAB9A

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 6 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
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