SCHEMBL2220103

SCHEMBL2220103

CCOC(C)c1c(C)cccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SCN4A P35499 5/20 0.33
LMNA P02545 2/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL18643723 0.87 SCN4A (0.40) CA1CA2CA7CA9TSHR
SCHEMBL21708208 0.77 KDM4E (0.43) CA12CA1CA2CA7CA9
SCHEMBL2221391 0.77 LMNA (0.34) CA12CA1CA2CA7CA9
SCHEMBL6676448 0.77 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL10766684 0.76 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL2219505 0.75 TSHR (0.44) CA12CA1CA2CA7CA9
SCHEMBL5388644 0.75 CA2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL184407 0.74 TRPA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL30309279 0.74 TRPA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9169241 0.73 TRPA1 (0.46) CA12CA1CA2CA7CA9

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