SCHEMBL20537845

SCHEMBL20537845

CCOC(=O)N/C=C(\C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
RAB9A P51151 2/20 0.36
TRPA1 O75762 1/20 0.35
GLO1 Q04760 1/20 0.35
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL37042 1.00 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL5702107 1.00 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL9860328 0.98 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
Water SCHEMBL11036530 0.98 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
Acetic Acid SCHEMBL10834786 0.98 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL9859991 0.94 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
Propionic Acid SCHEMBL10341173 0.93 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
Urethane SCHEMBL1535845 0.91 ALOX15 (0.50) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
Butyric Acid SCHEMBL10341211 0.88 FFAR3 (0.41) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL8928230 0.84 GLO1 (0.44) ALDH1A1LMNAHSD17B10SMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638189-B1 CURABLE COMPOSITION FOR PRODUCING A DENTAL COMPOSITE CROWN AND PROCESS OF PRODUCTION 3M INNOVATIVE PROPERTIES CO (US) 2021-08-18 EP claimed
EP-3426222-B1 PREFORMED DENTAL COMPOSITE CROWN, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2020-04-29 EP claimed
EP-2825603-B1 ACTIVE ENERGY RAY CURABLE AQUEOUS EMULSIONS ALLNEX Belgium SA (BE) 2018-10-24 EP claimed