SCHEMBL7768844

SCHEMBL7768844

C=C(COC(=O)CC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PAM P19021 2/20 0.31

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
SCHEMBL28895438 0.79 MGAM (0.43) TDP1GAAMGAMSIMGAM2
SCHEMBL7776382 0.77 TDP1 (0.43) ALOX15TDP1ALDH1A1BLMGAA
SCHEMBL15382525 0.77 ALDH1A1 (0.44) NAAAALOX15ALDH1A1CYP1A2HPGD
SCHEMBL7771519 0.77
SCHEMBL16713973 0.77 NAAA (0.43) NAAATDP1ALDH1A1CYP1A2HPGD
SCHEMBL1332051 0.75
SCHEMBL887246 0.74 TSHR (0.47) ALOX15TDP1ALDH1A1
SCHEMBL472559 0.73
SCHEMBL6639977 0.73
SCHEMBL19035876 0.73

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-0755803-B1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES (JP) 2001-07-25 EP disclosed
EP-0755803-A1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES, INC. (JP) 1997-01-29 EP disclosed