SCHEMBL7976286

SCHEMBL7976286

COC(=O)NCCCOc1c(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 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HPGD P15428 3/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL7979325 0.96 HTT (0.40) HTTKDM4ELMNAALDH1A1CYP1A2
SCHEMBL4045393 0.89 CA12 (0.45) HTTCYP2D6TDP1KMT2AMEN1
SCHEMBL7979456 0.86 CYP1A2 (0.39) HTTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL8077587 0.86 HTT (0.39) HTTKDM4ELMNAALDH1A1CYP1A2
SCHEMBL7982373 0.85 ACHE (0.40) HTT
SCHEMBL7976279 0.84 ALDH1A1 (0.40) HTTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13758057 0.84 POLB (0.40) KDM4ELMNAALDH1A1CYP1A2CYP2D6
SCHEMBL7965715 0.83 KDM4E (0.41) HTTKDM4ELMNAALDH1A1CYP1A2
SCHEMBL8060916 0.83 HPGD (0.51) HTTKDM4ELMNAALDH1A1RAB9A
SCHEMBL8065554 0.82 HTT (0.36) HTTKDM4ELMNAALDH1A1CYP1A2

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-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
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