SCHEMBL27363979

SCHEMBL27363979

CC(C)(C)OC(O)Oc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.44
ADRB2 P07550 2/20 0.36
ADRB1 P08588 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BACE1 P56817 3/20 0.35
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
TPSB2 P20231 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PLAT P00750 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SYK P43405 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL2806289 0.79 CSNK2A1 (0.54) CSNK2A1TAAR1BACE1
SCHEMBL2570486 0.74 CSNK2A1 (0.57) CSNK2A1TAAR1
SCHEMBL2573344 0.72 CSNK2A1 (0.54) CSNK2A1TAAR1PLGPLAUCFD
SCHEMBL2807447 0.67 CSNK2A1 (0.65) CSNK2A1TAAR1BACE1
SCHEMBL27508195 0.67 CSNK2A1 (0.69) CSNK2A1TAAR1BACE1
SCHEMBL2572842 0.66 CSNK2A1 (0.62) CSNK2A1TAAR1BACE1PPARGPPARA
SCHEMBL2567891 0.66 KDM4E (0.52) CSNK2A1ADRB2
SCHEMBL2570251 0.66 CSNK2A1 (0.47) CSNK2A1PLGPLAUCFDF11
SCHEMBL2572049 0.66 HTR7 (0.55) CSNK2A1ADRB2ADRB1
SCHEMBL5991140 0.65 CSNK2A1 (0.53) CSNK2A1TAAR1

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
WO-2024005194-A1 POLYPHENOL COMPOUND, FILM-FORMING COMPOSITION FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, AND METHOD FOR FORMING PATTERN 三菱瓦斯化学株式会社 2024-01-04 WO disclosed