SCHEMBL3394150

SCHEMBL3394150

C=CC(=O)C(N)(CO)C(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 3/20 0.36
FGFR4 P22455 1/20 0.36
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL31376416 0.80 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL517353 0.79 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4LMNA
SCHEMBL3578262 0.72 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HIF1ATSHRFGFR4
SCHEMBL30895615 0.72 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2HIF1ATSHRFGFR4
SCHEMBL28173843 0.70 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1411891 0.70 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9245591 0.70 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21979219 0.70 SMN1; SMN2 (0.31) SMN1; SMN2HIF1ALMNA
SCHEMBL12501681 0.70 SMN1; SMN2 (0.31) SMN1; SMN2HIF1ALMNA
SCHEMBL934622 0.70 ALDH1A1 (0.39) ALDH1A1TSHRFGFR4

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-2212020-A1 IMPRINTED POLYMERS WITH AFFINITY FOR PHOSPHORYLATED PEPTIDES AND PROTEINS MIP Technologies AB (SE) 2010-08-04 EP disclosed
WO-2009064245-A1 IMPRINTED POLYMERS WITH AFFINITY FOR PHOSPHORYLATED PEPTIDES AND PROTEINS MIP TECHNOLOGIES AB (SE) 2009-05-22 WO disclosed