SCHEMBL28225549

SCHEMBL28225549

COc1ccc(S(C)(C)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.59
LTA4H P09960 2/20 0.56
PKM P14618 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PGR P06401 2/20 0.47
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
POLB P06746 1/20 0.46
SQSTM1 Q13501 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL19864931 0.90 CA1 (0.65) CA4PKMCA1CA2CA12
SCHEMBL25121932 0.88 CA4 (0.56) CA4LTA4HPKMCA1CA2
SCHEMBL4340780 0.86 CA4 (0.59) CA4LTA4HPKMCA1CA2
SCHEMBL22137255 0.82 CA4 (0.54) CA4LTA4HPKMCA1CA2
SCHEMBL7545245 0.82 PKM (0.61) CA4LTA4HPKMCA1CA2
SCHEMBL2900381 0.82 PKM (0.83) CA4LTA4HPKMCA1CA2
SCHEMBL5607138 0.82 HTR6 (0.47) CA4CA1CA2CA12CA7
Anisole SCHEMBL29580625 0.79
SCHEMBL8154133 0.79 TSHR (0.64) CA4PKMCA1CA2ALDH1A1
SCHEMBL22769563 0.79 PKM (0.52) CA4LTA4HPKMALDH1A1PGR

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
CN-103773265-B Anisotropic conductive adhesive composition 日立化成株式会社 2018-07-10 CN disclosed