SCHEMBL7979372

SCHEMBL7979372

CCCc1ccc(NCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.36
PPARG P37231 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ABL1 P00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RECQL P46063 1/20 0.32
NR1H2 P55055 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 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
SCHEMBL8659785 0.84 PLAU (0.39) HTTALDH1A1PPARGKMT2AMEN1
SCHEMBL7979374 0.84 NPC1 (0.44) ALDH1A1KMT2AMEN1NPC1KDM4E
SCHEMBL8408424 0.83 HTT (0.38) HTTALDH1A1PPARGSMN1; SMN2
SCHEMBL7965828 0.82 HTT (0.40) HTTALDH1A1PPARGCYP1A2CYP2C19
SCHEMBL7965926 0.82 HTT (0.39) HTTALDH1A1PPARGCYP1A2CYP2C19
SCHEMBL8628024 0.82 SCN9A (0.41) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL8656345 0.81 PLAU (0.39) HTTALDH1A1PPARGCYP1A2CYP2C19
SCHEMBL7979272 0.81 HTT (0.38) HTTALDH1A1PPARGKMT2AMEN1
SCHEMBL8659999 0.80 HTT (0.37) HTTPPARDKDM4E
SCHEMBL7977787 0.79 HTT (0.40) HTTALDH1A1ABL1CYP1A2CYP2C19

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