SCHEMBL7872947

SCHEMBL7872947

Cc1cccc(OCO[C]=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
MAOB P27338 2/20 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
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
MAOA P21397 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) ACHEMAOBKMT2AGAALMNA
Hydrochloric Acid SCHEMBL10555496 0.81 ACHE (0.58) ACHEMAOBKMT2AGAALMNA
Hydrochloric Acid SCHEMBL10555508 0.81 ACHE (0.58) ACHEMAOBKMT2AGAALMNA
SCHEMBL756665 0.78 ACHE (0.50) ACHEMAOBKMT2AGAALMNA
SCHEMBL761063 0.77 ACHE (0.59) ACHEMAOBKMT2AGAALMNA
SCHEMBL7883901 0.77 L3MBTL1 (0.44) ACHEMAOBKMT2AGAALMNA
SCHEMBL5253773 0.77 KCNA3 (0.46) KMT2ALMNADRD2DRD4DRD3
SCHEMBL17561648 0.76 DRD2 (0.63) ACHEMAOBKMT2AGAATDP1
SCHEMBL7872950 0.75 MAOB (0.49) ACHEMAOBKMT2AGAALMNA
SCHEMBL98118 0.75 ACHE (0.56) ACHEKMT2AGAALMNATDP1

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