SCHEMBL20146696

SCHEMBL20146696

C=C(OCCN(CCC)C(C)=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 4/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL26487463 0.79 TSHR (0.53) CA12CA2CA9TSHRMAPK1
SCHEMBL17211583 0.75 TSHR (0.55) CA12CA2CA9TSHRMAPK1
SCHEMBL483128 0.73 CA12 (0.55) CA12CA2CA9TSHRMAPK1
SCHEMBL21625954 0.72 CA12 (0.41) CA12CA2CA9TSHRMAPK1
SCHEMBL9496723 0.71
SCHEMBL13055369 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
Hydrochloric Acid SCHEMBL3020939 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL13055372 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL13055370 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL10829481 0.71 CA12 (0.40) CA12CA2CA9TSHRMAPK1

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
EP-3321333-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND Ricoh Company Ltd. (JP) 2018-05-16 EP disclosed