SCHEMBL7977841

SCHEMBL7977841

CC(C)N(CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
REN P00797 1/20 0.36
MCHR1 Q99705 3/20 0.34
UTS2R Q9UKP6 2/20 0.34
GRM4 Q14833 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARD Q03181 2/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PSMB5 P28074 1/20 0.33
GSTP1 P09211 1/20 0.32
PDE6D O43924 1/20 0.32

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
SCHEMBL7979492 0.88 BCHE (0.43) CYP11B1CYP11B2MCHR1GRM4KDM4E
SCHEMBL7965823 0.85 BCHE (0.46) CYP11B1CYP11B2MCHR1UTS2RGRM4
SCHEMBL7977839 0.83 APP (0.33) APP
SCHEMBL7979491 0.80 CYP11B1 (0.32) CYP11B1CYP11B2KDM4EGSTP1
SCHEMBL8060846 0.79 RHOC (0.47) PPARD
SCHEMBL8405597 0.79 MAOB (0.39) GRM4PPARD
SCHEMBL7977739 0.78 RHOC (0.51) PPARD
SCHEMBL8408473 0.78 HTT (0.35) CYP11B1CYP11B2GRM4KDM4EPPARD
SCHEMBL8405535 0.77 PPARA (0.39) GRM4PPARD
SCHEMBL7965820 0.77 CYP11B1 (0.33) CYP11B1CYP11B2KDM4EPPARDBCHE

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 2 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