SCHEMBL7765827

SCHEMBL7765827

CC(C)CC(C(=O)O)C(CCCN1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 10/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7765830 1.00 CYP1A2 (0.37) CYP1A2MAPK1SMN1; SMN2POLBMAPT
SCHEMBL7764161 0.88 ALDH1A1 (0.38) SMN1; SMN2POLBKMT2AMEN1KDM4E
SCHEMBL7764155 0.88 ALDH1A1 (0.38) SMN1; SMN2POLBKMT2AMEN1KDM4E
SCHEMBL6943418 0.79 BCHE (0.39) SMN1; SMN2MAPTKMT2A
SCHEMBL6943422 0.79 BCHE (0.39) SMN1; SMN2MAPTKMT2A
SCHEMBL7764173 0.79 BCHE (0.39) SMN1; SMN2MAPTKMT2A
SCHEMBL7764176 0.79 BCHE (0.39) SMN1; SMN2MAPTKMT2A
SCHEMBL6986468 0.78 BCHE (0.38) SMN1; SMN2
SCHEMBL7977210 0.78 MEN1 (0.35) POLBKMT2AMEN1
SCHEMBL5679507 0.78 CPB2 (0.37) POLBKMT2AMEN1

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed