SCHEMBL7979325

SCHEMBL7979325

COC(=O)NCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.36
EPHX1 P07099 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL7976286 0.96 HTT (0.40) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL7979456 0.90 CYP1A2 (0.39) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL7982373 0.89 ACHE (0.40) HTT
SCHEMBL4045393 0.85 CA12 (0.45) HTTCYP2D6TDP1MEN1KMT2A
SCHEMBL7978945 0.84 L3MBTL1 (0.43) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL8408754 0.83 HTT (0.39) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL8077587 0.82 HTT (0.39) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL13750519 0.82 KDM4E (0.40) HTTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL7976340 0.82 NPC1 (0.45) CYP1A2ALDH1A1MEN1KMT2AHDAC6
SCHEMBL13758057 0.81 POLB (0.40) KDM4ECYP1A2CYP2D6ALDH1A1TDP1

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
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
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