Chlorpyrifos

Chlorpyrifos

SCHEMBL7174685

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

nearest known ligand 0.44

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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-Methyl SCHEMBL7173269 0.94 TDP1 (0.41) TDP1CYP3A4ALDH1A1MAPTALOX15
Allethrin SCHEMBL2052703 0.90 TDP1 (0.44) TDP1CYP3A4ALDH1A1MAPTALOX15
Allethrin SCHEMBL7171209 0.83 TDP1 (0.41) TDP1CYP3A4ALDH1A1MAPTALOX15
Dimpylate SCHEMBL7173553 0.83 TSHR (0.46) TDP1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL24702741 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2
SCHEMBL7923675 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2
SCHEMBL25223 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2
SCHEMBL21881764 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2
SCHEMBL6707098 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2
SCHEMBL8645484 0.80 LMNA (0.46) TDP1CYP3A4TSHRLMNACYP1A2

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