SCHEMBL15516459

SCHEMBL15516459

Clc1cc(C2CC2)cc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AHR P35869 5/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMURF2 Q9HAU4 1/20 0.34
SMURF1 Q9HCE7 1/20 0.34
TSHR P16473 2/20 0.33
CYP1B1 Q16678 1/20 0.33
CASP1 P29466 1/20 0.33
POLB P06746 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31

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
SCHEMBL15516914 0.90 SLC6A2 (0.40) ALDH1A1CYP3A4HPGDHSD17B10CRHBP
SCHEMBL5543824 0.84 SLC18A3 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15517454 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15806349 0.79 SMURF2 (0.42) CYP3A4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15516364 0.79 TRPA1 (0.34) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15516001 0.79 NOTUM (0.38) ALDH1A1HPGDHSD17B10KCNH2POLB
SCHEMBL29014042 0.78 POLB (0.43) CYP3A4POLB
SCHEMBL1662047 0.77 TSHR (0.41) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL807516 0.75 TLR9 (0.36) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15561902 0.74 TSHR (0.47) CYP3A4TSHRPOLBHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed