SCHEMBL284991

SCHEMBL284991

C=C(NC(=O)O)C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL14738848 0.77
SCHEMBL13362234 0.69
Methylmalonic Acid SCHEMBL27766 0.67
Methylmalonic Acid SCHEMBL27881917 0.67 TP53 (0.57) TP53SLC7A5LMNA
SCHEMBL965170 0.67
Methylmalonic Acid SCHEMBL5875178 0.66 TP53 (0.47) TP53SLC7A5CYP2D6CYP2C19
Methylmalonic Acid SCHEMBL5875189 0.66 TP53 (0.47) TP53SLC7A5CYP2D6CYP2C19
SCHEMBL27511564 0.65
SCHEMBL164038 0.65 TP53 (0.40) TP53SLC7A5LMNAMAPTXBP1
Methylmalonic Acid SCHEMBL19813791 0.65 TP53 (0.40) TP53SLC7A5LMNAMAPTXBP1

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-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP disclosed
EP-2428235-A2 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers Technische Universität Wien (AT) 2012-03-14 EP disclosed