SCHEMBL17897015

SCHEMBL17897015

CC(C)(O)CC(C)(C)N1C(=O)C=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.34
ALDH1A1 P00352 2/20 0.34
BLM P54132 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
FAAH O00519 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
SCHEMBL17519207 0.87
SCHEMBL18533846 0.86 MGLL (0.40) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL18431250 0.83 MGLL (0.34) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL1578819 0.82 MGLL (0.37) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL14529642 0.79 MGLL (0.32) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL22308525 0.78 MGLL (0.34) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL12580122 0.78 ALDH1A1 (0.32) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL18626109 0.78 ALDH1A1 (0.32) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL18789110 0.78 ALDH1A1 (0.35) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL24776850 0.77 POLB (0.31)

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
US-20180059117-A1 FLUORESCENT METHODS AND MATERIALS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN, INC. 2018-03-01 US disclosed
US-9383353-B2 Fluorescent methods and materials for directed biomarker signal amplification SIRIGEN INC. (US) 2016-07-05 US disclosed