SCHEMBL27893261

SCHEMBL27893261

C=C(C)c1c[c]cc(C(C)(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPN P05981 1/20 0.31

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
SCHEMBL99193 0.79 CA2 (0.52) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL486898 0.71 CYP2C9 (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL805444 0.71 CA2 (0.45) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL7491909 0.71 ALDH1A1 (0.34) CA2CA1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13359326 0.71 CA2 (0.61) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL10458268 0.71 CA2 (0.61) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL4788470 0.69 SMN1; SMN2 (0.39) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL12651295 0.69 SMN1; SMN2 (0.63) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL2811722 0.69 CA2 (0.65) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL805430 0.69 NR5A2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762783-A Polyurethane elastic yarn and method for producing same TORAY OPELONTEX CO LTD 2012-10-31 CN disclosed