SCHEMBL28742958

SCHEMBL28742958

Cc1cccc(O[Zr](Oc2cccc(C)c2)(C2C=CC=C2)C2C=CC=C2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
POLB P06746 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL27518635 0.82 CYP1A2 (0.40)
SCHEMBL27566796 0.82 ACHE (0.42) ACHELMNAALDH1A1SLC6A2SLC6A4
SCHEMBL27518525 0.81 ALDH1A1 (0.34) ALDH1A1TDP1SMN1; SMN2
SCHEMBL27518543 0.79 SLC6A2 (0.37) ACHEALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL27518528 0.79 SLC6A4 (0.37) LMNASLC6A2SLC6A4SLC6A3HTT
SCHEMBL27518586 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL28743571 0.79 MAOB (0.40) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL28745916 0.78 ACHE (0.31) ACHE
SCHEMBL27545420 0.78 KDM4E (0.40) ACHELMNAALDH1A1TDP1HTT
SCHEMBL27571925 0.77 MAOB (0.43) ALDH1A1GAAMEN1PPARGKMT2A

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
CN-1259963-A Catalytic components for polymerization of olefins, catalyst and process for the polymerization MARUZEN PETROCHEM CO LTD (JP) 2000-07-12 CN disclosed