SCHEMBL23967663

SCHEMBL23967663

C[C@H](Oc1nc(Cl)c(Cl)c(N)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAP4K4 O95819 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PLG P00747 1/20 0.31
PLAU P00749 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
SCHEMBL22183888 1.00 TDP1 (0.46) TDP1MAPTATML3MBTL1GAA
SCHEMBL12852976 0.84 PLG (0.34) TDP1GAATSHRHTR2AHTR2C
SCHEMBL22953453 0.84 PLG (0.34) TDP1GAATSHRHTR2AHTR2C
SCHEMBL23967716 0.84 PLG (0.34) TDP1GAATSHRHTR2AHTR2C
SCHEMBL22183893 0.84 MAPT (0.42) TDP1MAPTATML3MBTL1GAA
SCHEMBL22170016 0.78 L3MBTL1 (0.37) TDP1MAPTATML3MBTL1GAA
SCHEMBL22170070 0.76 PLG (0.34) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL11628178 0.75 TDP1 (0.36) TDP1MAPTATML3MBTL1GAA
SCHEMBL22172410 0.75 MAP4K4 (0.41) TDP1L3MBTL1GAATSHRHTR2A
SCHEMBL985480 0.74 TDP1 (0.53) TDP1MAPTATML3MBTL1GAA

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
EP-3904341-A1 R-TYPE PYRIDYLOXYCARBOXYLIC ACID, SALT AND ESTER DERIVATIVE THEREOF, AND PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND APPLICATION THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-11-03 EP disclosed