SCHEMBL7979456

SCHEMBL7979456

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.35
ACHE P22303 6/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7982373 0.92 ACHE (0.40) HTTEPHX2ACHE
SCHEMBL7979325 0.90 HTT (0.40) CYP1A2CYP2D6KMT2AMEN1CYP3A4
SCHEMBL7976286 0.86 HTT (0.40) CYP1A2CYP2D6KMT2AMEN1CYP3A4
SCHEMBL8660850 0.84 L3MBTL1 (0.42) KMT2AKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL6547821 0.83 BRD4 (0.39) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL4045393 0.82 CA12 (0.45) CYP2D6KMT2AMEN1CYP2C19TDP1
SCHEMBL7975615 0.81 BRD4 (0.42) CYP1A2KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL7978945 0.81 L3MBTL1 (0.43) CYP1A2CYP2D6KMT2AMEN1CYP3A4
SCHEMBL8408754 0.80 HTT (0.39) CYP1A2CYP2D6KMT2AMEN1CYP3A4
SCHEMBL3234393 0.80 HTT (0.43) CYP1A2CYP2D6KMT2AMEN1CYP3A4

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 3 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
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