SCHEMBL7530141

SCHEMBL7530141

CNC(=O)O.CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRB P28702 6/20 0.38
RXRA P19793 5/20 0.38
RXRG P48443 2/20 0.38
BCHE P06276 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL77964 0.95 GABRA1 (0.40) RAF1MAPTKDM4EMEN1POLB
SCHEMBL6739015 0.95 GABRA1 (0.40) RAF1MAPTKDM4EMEN1POLB
3,5-Dimethylphenyl Methylcarbamate SCHEMBL6736279 0.78 RAF1 (0.43) RAF1MAPTKDM4EMEN1POLB
SCHEMBL78061 0.78 ACHE (0.51) MAPTKDM4EHSD17B10BCHEALDH1A1
SCHEMBL7175099 0.77 ALDH1A1 (0.38) RAF1MAPTKDM4EATMHSD17B10
SCHEMBL11801182 0.77 MAPT (0.54) MAPTKDM4EMEN1POLBCYP2D6
Carbamic Acid SCHEMBL79072 0.76 TRPV1 (0.47) MAPTKDM4EMEN1KMT2ARXRB
Bromide SCHEMBL6851422 0.75 MAPT (0.53) MAPTKDM4EMEN1POLBCYP2D6
SCHEMBL119743 0.74 RAF1 (0.48) RAF1MAPTKDM4EKMT2AHSD17B10
3,5-Dimethylphenyl Methylcarbamate SCHEMBL338080 0.74 ALDH1A1 (0.45) RAF1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906014-B1 Shaped bodies which release agrochemicals BAYER AG (DE) 2002-03-27 EP disclosed
EP-0906014-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0861024-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997046094-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997017847-A1 POLYSACCHARIDE ETHER ESTERS WHICH RELEASE ACTIVE INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed
EP-0124404-A1 Insecticide collar and method for its manufacture Rombi, Max André (FR) 1984-11-07 EP disclosed