SCHEMBL471146

SCHEMBL471146

C[C@@]1(C(=O)O)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NOTUM Q6P988 2/20 0.41
RPA1 P27694 1/20 0.39
CYP11B2 P19099 1/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MARS1 P56192 3/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
PDE5A O76074 1/20 0.35
AKR1C3 P42330 1/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL135365 1.00 LMNA (0.45) LMNANOTUMRPA1CYP11B2GABRA2
SCHEMBL29686790 1.00 LMNA (0.45) LMNANOTUMRPA1CYP11B2GABRA2
Butane SCHEMBL20916981 0.95 LMNA (0.42) LMNANOTUMRPA1CYP11B2GABRA2
Butane SCHEMBL677651 0.95 LMNA (0.42) LMNANOTUMRPA1CYP11B2GABRA2
SCHEMBL19698080 0.91 LMNA (0.41) LMNANOTUMRPA1CYP11B2GABRA2
Paraquat SCHEMBL2373860 0.89 LMNA (0.38) LMNANOTUMRPA1CYP11B2GABRA2
SCHEMBL6061258 0.86 GABRA2 (0.42) LMNAGABRA2GABRB2SMN1; SMN2MEN1
SCHEMBL29419101 0.85 GABRA2 (0.42) LMNANOTUMGABRA2GABRB2OPRM1
SCHEMBL30684851 0.85 GABRA2 (0.47) GABRA2GABRB2SMN1; SMN2MEN1MAPT
SCHEMBL3665939 0.85 GABRA2 (0.47) GABRA2GABRB2SMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138038-B1 Synergistic herbicidal agents BAYER CROPSCIENCE AG (DE) 2012-01-18 EP disclosed
EP-1213966-A1 NEW HERBICIDAL COMPOSITIONS Bayer CropScience Limited (GB) 2002-06-19 EP disclosed
WO-2001017350-A1 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE UK LIMITED (GB) 2001-03-15 WO disclosed