SCHEMBL12974482

SCHEMBL12974482

CC(Nc1ccc(C(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.59
▸ GAA P10253 2/20 0.53
▸ RCE1 Q9Y256 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 3/20 0.45
▸ NR1H4 Q96RI1 2/20 0.44
▸ ROCK1 Q13464 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ NEK4 P51957 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42
▸ CDC42BPA Q5VT25 1/20 0.42

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
SCHEMBL6542509 0.84 ALDH1A1 (0.57) ALDH1A1GAAKDM4ECYP3A4CYP2D6
SCHEMBL6542384 0.84 ALDH1A1 (0.57) ALDH1A1GAAKDM4ECYP3A4CYP2D6
SCHEMBL28405143 0.83 RCE1 (0.61) ALDH1A1RCE1TDP1NR1H4CYP3A4
SCHEMBL13580881 0.82 NR1H4 (0.42) ALDH1A1GAAKDM4ENR1H4LMNA
SCHEMBL6376702 0.82 GAA (0.73) ALDH1A1GAAKDM4ETDP1ROCK1
SCHEMBL5604987 0.82 GAA (0.73) ALDH1A1GAAKDM4ETDP1ROCK1
SCHEMBL1884341 0.82 GAA (0.73) ALDH1A1GAAKDM4ETDP1ROCK1
SCHEMBL13818367 0.81 NR1H4 (0.50) GAATDP1NR1H4LMNAATM
SCHEMBL13439868 0.81 NR1H4 (0.50) GAATDP1NR1H4LMNAATM
SCHEMBL3408275 0.79 ALDH1A1 (0.65) ALDH1A1GAAKDM4ETDP1CYP3A4

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-2010150917-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2010-12-29 — — WO disclosed
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