SCHEMBL6060070

SCHEMBL6060070

S=C([S-])NN1CCOCC1.S=C([S-])NN1CCOCC1.[Cu+2]

nearest known ligand 0.95

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.95
CA1 P00915 6/20 0.95
CA2 P00918 6/20 0.95
CA9 Q16790 6/20 0.95
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5826309 0.95 CA12 (0.95) CA12CA1CA2CA9ALDH1A1
SCHEMBL3772058 0.95 CA12 (0.95) CA12CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL14843848 0.95 CA12 (1.00) CA12CA1CA2CA9ALDH1A1
SCHEMBL11174169 0.78 CA12 (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL3077426 0.76 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL10742927 0.74 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL3071219 0.74 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL10742919 0.74 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL1267862 0.74 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL3452601 0.74 CA12 (0.61) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142613-A1 Process for producing (meth)acrylic acid MITSUBISHI CHEMICAL CORPORATION (JP) 2006-06-29 US disclosed
US-20040225151-A1 Process for producing (meth) acrylic acid MITSUBISHI CHEMICAL CORPORATION (JP) 2004-11-11 US disclosed