Chlorpyrifos-Methyl

Chlorpyrifos-Methyl

SCHEMBL7173269

C#CCC1=C(C)[C@@H](OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O.COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl

nearest known ligand 0.41

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33

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
Chlorpyrifos SCHEMBL7174685 0.94 TDP1 (0.44) TDP1MEN1KMT2ACYP3A4CYP1A2
Allethrin SCHEMBL7171209 0.90 TDP1 (0.41) TDP1MEN1KMT2ACYP3A4CYP1A2
Allethrin SCHEMBL2052703 0.83 TDP1 (0.44) TDP1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL8645484 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL21881764 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL24702741 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL25223 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4454464 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7923675 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2976330 0.81 LMNA (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C9

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
EP-1322166-A2 SEED TREATMENT WITH COMBINATIONS OF INSECTICIDES Monsanto Technology LLP (US) 2003-07-02 EP disclosed
WO-2002028186-A2 SEED TREATMENT WITH COMBINATIONS OF INSECTICIDES MONSANTO TECHNOLOGY, LLC (US) 2002-04-11 WO disclosed