SCHEMBL29629320

SCHEMBL29629320

CC(C)Oc1ccc(OC(C)C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IRAK4 Q9NWZ3 2/20 0.45
ALDH1A1 P00352 1/20 0.42
ACHE P22303 1/20 0.42
IDO1 P14902 2/20 0.41
TLR8 Q9NR97 1/20 0.41
EP300 Q09472 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
CSNK2A1 P68400 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL18686299 1.00 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL10602566 0.90 MCHR1 (0.46) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL7823247 0.89 CYP1A2 (0.54) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL26866958 0.89 CYP1A2 (0.46) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL11691861 0.87 IDO1 (0.62) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL7823246 0.87 CYP1A2 (0.45) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL2024388 0.87 IDO1 (0.55) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL13391184 0.87 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5363561 0.87 PKM (0.49) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL15772943 0.81 IDO1 (0.45) MAPTIRAK4ALDH1A1IDO1EP300

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-114656878-A Silicone resin composition, molded body, laminate, and method for producing molded body 日铁化学材料株式会社 2022-06-24 CN disclosed