SCHEMBL7401741

SCHEMBL7401741

CC(C)(C)C(=O)NNCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 3/20 0.35
KDM4E B2RXH2 3/20 0.35
KDM5C P41229 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
ECE1 P42892 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BBOX1 O75936 2/20 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
SCHEMBL2861129 0.77 POLB (0.47) LMNAHTTEGLN1KDM4ENAALAD2
Trifluoroacetic Acid SCHEMBL8653957 0.75 ALDH1A1 (0.39) LMNAHTTL3MBTL1EGLN1ECE1
SCHEMBL5596142 0.75 ADRA1A (0.45) LMNAEGLN1KDM4EKDM5CPHF8
SCHEMBL6635766 0.74 HDAC3 (0.50) LMNAHTTL3MBTL1HDAC3HDAC1
SCHEMBL12581071 0.74 MEN1 (0.42) KMT2A
Water SCHEMBL7773341 0.73 ADRA1A (0.43) LMNAEGLN1KDM4EKDM5CPHF8
Hydrochloric Acid SCHEMBL8654453 0.73 ADRA1A (0.43) LMNAEGLN1KDM4EKDM5CPHF8
SCHEMBL16360052 0.72 LMNA (0.53) LMNAEGLN1KDM4EKDM5CPHF8
SCHEMBL3534568 0.72 LMNA (0.41) LMNAHTTL3MBTL1KDM4EHDAC3
SCHEMBL6636353 0.71 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC8

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-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed