SCHEMBL8080574

SCHEMBL8080574

O=C(NCCCOc1ccc(OCC=C(Cl)Cl)c(Br)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.51
RHOA P61586 1/20 0.51
MAPT P10636 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
PPARD Q03181 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7979250 0.87 RHOC (0.48) RHOCRHOAMAPTCA1CA2
SCHEMBL8651186 0.87 RHOC (0.60) RHOCRHOACA1CA2CA7
SCHEMBL7977795 0.84 RHOC (0.45) RHOCRHOACA1CA2CA7
SCHEMBL7977739 0.79 RHOC (0.51) RHOCRHOAMAPTCA1CA2
SCHEMBL8634835 0.79 THRB (0.42) MAPTLMNACYP1A1CYP1B1RAB9A
SCHEMBL7979570 0.78 RHOC (0.47) RHOCRHOAMAPTSMN1; SMN2HPGD
SCHEMBL8390290 0.78 RHOC (0.41) RHOCRHOASMN1; SMN2HPGDMRGPRX4
SCHEMBL8518198 0.78 SCN9A (0.48) RHOCRHOAPPARD
SCHEMBL7976273 0.78 RHOC (0.47) RHOCRHOAMAPTSMN1; SMN2HPGD
SCHEMBL8060846 0.77 RHOC (0.47) RHOCRHOAMAPTCA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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