SCHEMBL22490941

SCHEMBL22490941

C=CC(=O)NCC(C)(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TGM2 P21980 1/20 0.34
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
TRPA1 O75762 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
SCHEMBL7754139 0.83 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL22016023 0.83 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL5672331 0.81 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL138083 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL4789482 0.80 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL23064184 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6566267 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL9297811 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL25469140 0.77 ZDHHC20 (0.53) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24690184 0.77 ZDHHC20 (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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
US-11542393-B2 Radiation curable polyurethane resin for ink jet ink AGFA NV (BE) 2023-01-03 US disclosed
US-20200369880-A1 RADIATION CURABLE POLYURETHANE RESIN FOR INK JET INK AGFA NV (BE) 2020-11-26 US disclosed
EP-3717540-A1 RADIATION CURABLE POLYURETHANE RESIN FOR INK JET INK AGFA NV (BE) 2020-10-07 EP disclosed