SCHEMBL7872950

SCHEMBL7872950

Cc1cccc(OCOC=O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
ACHE P22303 1/20 0.47
DRD3 P35462 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10511421 0.82 ACHE (0.60) MAOBDRD2DRD4ACHEDRD3
Hydrochloric Acid SCHEMBL10555496 0.81 ACHE (0.58) MAOBDRD2DRD4ACHEDRD3
Hydrochloric Acid SCHEMBL10555508 0.81 ACHE (0.58) MAOBDRD2DRD4ACHEDRD3
SCHEMBL6397513 0.78 MAOB (0.51) MAOBMAOADRD2DRD4ACHE
SCHEMBL7881577 0.77 TDP1 (0.52) MAOBKMT2AGAALMNATDP1
SCHEMBL761063 0.77 ACHE (0.59) MAOBDRD2DRD4ACHEDRD3
SCHEMBL7883903 0.77 DRD2 (0.46) MAOBDRD2DRD4ACHEDRD3
SCHEMBL2503254 0.77 KCNA3 (0.46) MAOBMAOADRD2DRD4DRD3
SCHEMBL17561648 0.76 DRD2 (0.63) MAOBDRD2DRD4ACHEDRD3
SCHEMBL7872947 0.75 ACHE (0.52) MAOBMAOADRD2DRD4ACHE

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
US-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 EP disclosed