SCHEMBL28096812

SCHEMBL28096812

Cc1cc(-c2c[c]c(O)c(-c3cc(C)c(O)c(C)c3)c2O)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
G6PD P11413 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL27946349 0.76 CA1 (0.54) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL28113975 0.76 CA1 (0.48) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL7523283 0.74 CA1 (0.56) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL28122381 0.74 CA1 (0.56) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL8895164 0.72 CA1 (0.54) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL28075325 0.70 CA1 (0.46) CA1CA2ACHECYP1A2CYP2C9
Ethane SCHEMBL28865517 0.69 CA1 (0.50) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL5520610 0.68 CA1 (0.54) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL29379546 0.68 CA1 (0.68) CA1CA2ACHECYP1A2CYP2C9
SCHEMBL22804025 0.67 CA1 (1.00) CA1CA2ACHECYP1A2CYP2C9

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-103592819-B Photosensitive resin composition, spacer, protective film and liquid crystal display element formed from the same 奇美实业股份有限公司 2016-08-24 CN disclosed