SCHEMBL7530541

SCHEMBL7530541

CCOC(=O)C=Cc1ccc(N(CC)CC)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KDM4E B2RXH2 6/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 7/20 0.52
GAA P10253 3/20 0.52
HPGD P15428 1/20 0.52
TTR P02766 1/20 0.51
DPP4 P27487 1/20 0.51
ESR1 P03372 1/20 0.50
HTT P42858 3/20 0.49
BLM P54132 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL17787890 0.87 ESR1 (0.49) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7521802 0.82 ALDH1A1 (0.48) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL7521809 0.82 ALDH1A1 (0.48) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9774045 0.81 CA12 (0.62) MAPTKDM4EALDH1A1HPGDTTR
SCHEMBL9774036 0.81 CA12 (0.62) MAPTKDM4EALDH1A1HPGDTTR
SCHEMBL31683004 0.81 TTR (0.57) MAPTTTRDPP4ESR1CYP3A4
SCHEMBL9445538 0.79 TTR (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDTTR
SCHEMBL13514358 0.79 TTR (0.55) MAPTALDH1A1TTRDPP4ESR1
SCHEMBL7526480 0.79 CA12 (0.67) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22160149 0.79 CA12 (0.67) MAPTKDM4ELMNASMN1; SMN2ALDH1A1

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