SCHEMBL15445307

SCHEMBL15445307

Cc1ccc(-c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.71
CA1 P00915 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
TYR P14679 1/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 9/20 0.59
PTGS2 P35354 8/20 0.59
HSPA5 P11021 1/20 0.46
HPN P05981 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
HIF1A Q16665 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL10024124 1.00 CA2 (0.71) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL3812524 0.85 CA2 (0.74) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL27846334 0.85 CA2 (0.74) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL803157 0.84 CA2 (1.00) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL13840641 0.83 CA2 (0.71) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL11350875 0.83 CA2 (0.71) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL9524225 0.82 CA2 (0.68) CA2CA1SMN1; SMN2ALDH1A1POLB
Butylated Hydroxytoluene SCHEMBL28908240 0.82 CA2 (0.72) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL11420770 0.82 CA2 (0.68) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL11426942 0.82 CA2 (0.68) CA2CA1SMN1; SMN2ALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045684-B2 Liquid crystal composition, antioxidant and liquid crystal display device JNC CORPORATION (JP) 2015-06-02 US disclosed
US-9045684-B2 Liquid crystal composition, antioxidant and liquid crystal display device JNC CORPORATION (JP) 2015-06-02 US disclosed
US-20140027671-A1 LIQUID CRYSTAL COMPOSITION, ANTIOXIDANT AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2014-01-30 US disclosed
US-20140027671-A1 LIQUID CRYSTAL COMPOSITION, ANTIOXIDANT AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2014-01-30 US disclosed