SCHEMBL2220776

SCHEMBL2220776

CC(C)(C)c1c(O)c(O)c(O)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TYR P14679 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
LMNA P02545 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
SCHEMBL19193446 0.89 CA2 (0.36) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL122888 0.85 CA2 (0.38) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL9068216 0.78 CA2 (0.35) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL5589612 0.73 CA2 (0.38) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL5587548 0.73 ALDH1A1 (0.37) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL5590379 0.73 PTGS1 (0.33) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL21732672 0.72
SCHEMBL19194000 0.70 GLRA3 (0.48) CA2CA1
SCHEMBL5590447 0.69
SCHEMBL21392674 0.69

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-20110177454-A1 RESIST MATERIAL AND PATTERN FORMATION METHOD USING THE RESIST MATERIAL PANASONIC CORPORATION (JP) 2011-07-21 US claimed
US-20110177454-A1 RESIST MATERIAL AND PATTERN FORMATION METHOD USING THE RESIST MATERIAL PANASONIC CORPORATION (JP) 2011-07-21 US disclosed