SCHEMBL3978877

SCHEMBL3978877

CCc1c(O)cccc1N1CCCC1CO.CCc1c(O)cccc1N1CCCC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PBRM1 Q86U86 1/20 0.39
ACVR1 Q04771 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK4 Q16654 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AR P10275 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CDK1 P06493 2/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL2941905 0.94 NR1I2 (0.43) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2940742 0.91 NR1I2 (0.37) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2943653 0.84 NR1I2 (0.41) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2941782 0.82 NR1I2 (0.39) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL3000639 0.80 HRH3 (0.34) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2937451 0.80 ROCK2 (0.41) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2936136 0.78 NR1I2 (0.42) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL18766585 0.78 PTPN1 (0.39) PDK2PDK4IRAK4CCNE2CDK4
SCHEMBL2941402 0.75 NR1I2 (0.39) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2940730 0.75 ACVR1 (0.41) NR1I2SMARCA2SMARCA4NR1H2NR1H3

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
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed