SCHEMBL7976340

SCHEMBL7976340

O=C(NCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL7977366 0.97 NPC1 (0.48) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7976374 0.93 NPC1 (0.46) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7965704 0.93 RHOC (0.42) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7977788 0.92 NPC1 (0.43) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7982246 0.90 NPC1 (0.44) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7982256 0.90 HDAC3 (0.46) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7979275 0.90 RHOC (0.45) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8060846 0.90 RHOC (0.47) NPC1HDAC3HDAC1RHOCRHOA
SCHEMBL8067253 0.90 NPC1 (0.49) NPC1RHOCRHOAKMT2ARAB9A
SCHEMBL7976364 0.89 NPC1 (0.48) NPC1HDAC3HDAC4HDAC1HDAC7

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
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