SCHEMBL13548379

SCHEMBL13548379

C/C=C/c1ccc(C)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.49
▸ PTGS2 P35354 6/20 0.49
▸ CA2 P00918 4/20 0.46
▸ CA1 P00915 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GABBR2 O75899 2/20 0.36
▸ GABBR1 Q9UBS5 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPN P05981 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL5570177 0.78 CA2 (0.55) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL13548378 0.78 CYP1A2 (0.54) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL11825346 0.73 CA2 (0.48) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL5463105 0.73 CA2 (0.61) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL5463108 0.73 CA2 (0.61) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL10024124 0.70 CA2 (0.71) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL15445307 0.70 CA2 (0.71) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL10589895 0.69 CA2 (0.47) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL11674975 0.68 GABBR2 (0.63) PTGS1PTGS2CA2CA1SMN1; SMN2
SCHEMBL20629917 0.68 GABBR2 (0.63) PTGS1PTGS2CA2CA1SMN1; SMN2

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
US-7642011-B2 Secondary battery with a radical compound active material NEC CORPORATION (JP) 2010-01-05 — — US disclosed
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