SCHEMBL15327802

SCHEMBL15327802

CC(=O)CO.CC(=O)CO.CC(=O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
TRPA1 O75762 1/20 0.50
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.42
FFAR3 O14843 2/20 0.42
THPO P40225 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
SLC15A2 Q16348 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA1 P00915 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
OR51E2 Q9H255 1/20 0.38
HTT P42858 1/20 0.35

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
SCHEMBL8356772 1.00 ALDH1A1 (0.54) ALDH1A1TDP1TRPA1LMNATSHR
SCHEMBL1870277 1.00
SCHEMBL5612211 1.00 ALDH1A1 (0.54) ALDH1A1TDP1TRPA1LMNATSHR
SCHEMBL19043 1.00
Water SCHEMBL12807087 0.95 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNATSHR
Water SCHEMBL2731420 0.95 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNATSHR
Water SCHEMBL2730640 0.95
Hydrochloric Acid SCHEMBL2341382 0.95
Water SCHEMBL2501638 0.95 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNATSHR
Water SCHEMBL2497290 0.95 ALDH1A1 (0.50) ALDH1A1TDP1TRPA1LMNATSHR

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
EP-2003505-B1 Method of forming patterns FUJIFILM CORP (JP) 2013-10-23 EP disclosed