SCHEMBL2551901

SCHEMBL2551901

CCC(=O)OCOC(=O)C(C)(C)Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
NAAA Q02083 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.34
TRPA1 O75762 1/20 0.33
HTT P42858 1/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7338739 0.82 NAAA (0.40) ALDH1A1CYP1A2CYP2C19HPGDBLM
SCHEMBL22204635 0.79 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19HPGDBLM
SCHEMBL11964190 0.78 NAAA (0.38) ALDH1A1CYP1A2CYP2C19HPGDBLM
SCHEMBL681192 0.78 NAAA (0.52) ALDH1A1CYP1A2CYP2C19HPGDBLM
SCHEMBL36821 0.77
Methane SCHEMBL6300031 0.75 NAAA (0.50) ALDH1A1CYP1A2CYP2C19HPGDBLM
Methane SCHEMBL21632462 0.75 CYP4F2 (0.44) ALDH1A1CYP1A2GAAKDM4ETRPA1
SCHEMBL29958613 0.75 CYP4F2 (0.44) ALDH1A1CYP1A2GAAKDM4ETRPA1
SCHEMBL36866 0.74 POLB (0.41) ALDH1A1CYP2C19GAA
SCHEMBL10033490 0.74 TSHR (0.42) ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558538-A2 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS Oligasis (US) 2013-02-20 EP disclosed
WO-2011130694-A2 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS OLIGASIS (US) 2011-10-20 WO disclosed