SCHEMBL28435401

SCHEMBL28435401

Cc1cc(C(C)(C)C)c(CCC(=O)OCCOOOC(=O)CCc2cc(O)c(C)cc2C(C)(C)C)cc1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.36
GAA P10253 2/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CDYL Q9Y232 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
SCHEMBL3400004 0.85 GAA (0.43) APPGAACYP4F2CYP4A11TDP1
SCHEMBL29485570 0.81 GAA (0.41) APPGAACYP4F2CYP4A11TDP1
SCHEMBL574707 0.81 GAA (0.41) APPGAACYP4F2CYP4A11TDP1
SCHEMBL3809307 0.76 HSPA5 (0.49) APPGAACYP4F2CYP4A11ALOX5
SCHEMBL3347430 0.73 GAA (0.45) APPGAATDP1ALOX5ALDH1A1
SCHEMBL9565485 0.72 GAA (0.41) APPGAACYP4F2CYP4A11TDP1
SCHEMBL10704454 0.72 GAA (0.50) APPGAATDP1ALDH1A1MAPT
SCHEMBL11580710 0.71 GAA (0.38) APPGAACYP4F2CYP4A11ALOX5
SCHEMBL3173292 0.71 HSPA5 (0.57) APPGAACYP4F2CYP4A11ALOX5
SCHEMBL7523092 0.70 GAA (0.41) APPGAATDP1ALOX5ALDH1A1

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-111565927-A Coating composition, in particular for producing coated wall, floor and ceiling finishing materials, in particular for producing coated wallpaper 福漫有限责任两合公司 2020-08-21 CN disclosed