SCHEMBL7521802

SCHEMBL7521802

CCOC(=O)/C=C/c1ccc(N(CC)CC)cc1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
BACE1 P56817 4/20 0.47
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOB P27338 2/20 0.41
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
FDPS P14324 1/20 0.39

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
SCHEMBL7521809 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2
SCHEMBL7530541 0.82 MAPT (0.59) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9361815 0.82 ALDH1A1 (0.70) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2
SCHEMBL8415313 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2
SCHEMBL28241832 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2
SCHEMBL9361903 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2
SCHEMBL11263151 0.78 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL11263148 0.78 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL12288715 0.76 ACHE (0.51) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA
SCHEMBL12838314 0.76 ALDH1A1 (0.65) ALDH1A1L3MBTL1BACE1KDM4ESMN1; SMN2

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
EP-0892067-B1 FLUORESCENT ENZYME SUBSTRATES AND METHOD FOR ASSAYING ENZYMATIC ACTIVITY LAB MOLECULAR BIOPHOTONICS (JP) 2002-03-13 EP disclosed
US-6207365-B1 AN ENZYME SUBSTRATE WITH A CLEAVABLE CARBOXYL, PHOSPHORIC ACID, OR SULFURIC ACID GROUP WHICH UNDERGOES INTRAMOLECULAR LACTONIZATION TO FORM A STRONGLY FLUORESCENT COUMARIN DERIVATIVE; FOR DETECTING ENZYME ACTIVITY LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-03-27 US disclosed
EP-0892067-A1 FLUORESCENT ENZYME SUBSTRATES AND METHOD FOR ASSAYING ENZYMATIC ACTIVITY Laboratory of Molecular Biophotonics (JP) 1999-01-20 EP disclosed