SCHEMBL7976320

SCHEMBL7976320

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCNc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
F2 P00734 1/20 0.32
PTPN1 P18031 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
PPARG P37231 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 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
SCHEMBL7965793 0.97 HTT (0.39) HTTALDH1A1GAAMAPTCYP1A2
SCHEMBL7965828 0.91 HTT (0.40) HTTALDH1A1GAACYP1A2CYP2C19
SCHEMBL7979221 0.91 HTT (0.42) HTTALDH1A1GAAMAPTL3MBTL1
SCHEMBL7977675 0.89 HTT (0.38) HTTMAPTRHOCRHOAPPARG
SCHEMBL7965926 0.89 HTT (0.39) HTTALDH1A1GAAMAPTCYP1A2
SCHEMBL7976362 0.88 HTT (0.41) HTTALDH1A1GAAMAPTDRD2
SCHEMBL7977787 0.88 HTT (0.40) HTTALDH1A1GAAMAPTCYP1A2
SCHEMBL7979320 0.86 HTT (0.37) HTTL3MBTL1RHOCRHOAPPARG
SCHEMBL8661408 0.86 HTT (0.41) HTTALDH1A1MAPTL3MBTL1DRD2
SCHEMBL8658513 0.86 HTT (0.41) HTTALDH1A1MAPTL3MBTL1DRD2

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed