SCHEMBL13704232

SCHEMBL13704232

CCC(C)C(=O)OC(C)c1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.48
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
GLA P06280 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
UGT2B7 P16662 1/20 0.36
TSPO P30536 1/20 0.36
NCEH1 Q6PIU2 2/20 0.36

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
SCHEMBL13704240 0.99 AKR1B1 (0.47) AKR1B1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL13704294 0.90 AKR1B1 (0.44) AKR1B1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL13704313 0.89 AKR1B1 (0.43) AKR1B1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL2740652 0.89 UGT2B7 (0.47) CYP1A2CYP2D6GLAAKR1C3AKR1C2
SCHEMBL13704249 0.88 GLA (0.44) CYP1A2CYP2D6GLAAKR1C3AKR1C2
SCHEMBL13704255 0.88 GLA (0.44) CYP1A2CYP2D6GLAAKR1C3AKR1C2
SCHEMBL2740645 0.88 GLA (0.44) CYP1A2CYP2D6GLAAKR1C3AKR1C2
SCHEMBL13704235 0.87 AKR1C3 (0.36) AKR1B1ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL13704246 0.86 ALDH1A1 (0.36) AKR1B1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL13704243 0.86 AKR1C3 (0.35) AKR1B1AKR1C3AKR1C2L3MBTL1

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 US disclosed