SCHEMBL27734804

SCHEMBL27734804

CCC(OC(=O)CN(CC(=O)O)CC(=O)O)C(O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL15549253 0.77 TDP1 (0.38) TDP1EYA2APPACEBLM
SCHEMBL27568862 0.76 TRPA1 (0.41) CYP2C19
SCHEMBL27623512 0.75 MEN1 (0.35) CYP2C19KCNH2HIF1A
SCHEMBL16782925 0.74 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL27473223 0.73 KCNH2 (0.31) KCNH2
SCHEMBL27587618 0.72 FAAH (0.31)
SCHEMBL27518131 0.72 TSHR (0.39) TSHRHSD17B10
SCHEMBL27695236 0.72 ALDH1A1 (0.44) TSHRLMNA
Benzene SCHEMBL27990619 0.71 TSHR (0.47) TDP1EYA2APPACEBLM
SCHEMBL27734628 0.71

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
CN-101253229-B Cellulose ester film, polarizer and display device KONICA MINOLTA OPTO INC 2012-07-04 CN disclosed
CN-101253229-A Cellulose ester film, polarizer and display device KONICA MINOLTA OPTO INC (JP) 2008-08-27 CN disclosed