SCHEMBL7523071

SCHEMBL7523071

CCOC(=O)/C=C/c1c(O)ccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TTR P02766 1/20 0.52
DPP4 P27487 1/20 0.52
ERN1 O75460 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KDM4E B2RXH2 3/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2785457 1.00 ALDH1A1 (0.53) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL27940191 0.84 ERN1 (0.54) ALDH1A1MAPTGAALMNATTR
SCHEMBL2691222 0.84 CYP1A2 (0.65) ALDH1A1MAPTGAALMNACA12
SCHEMBL6851358 0.82 CA12 (0.56) ALDH1A1MAPTLMNATTRDPP4
SCHEMBL7524368 0.82 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL7526612 0.82 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL9614843 0.81 CYP3A4 (0.50) MAPTTTRDPP4CA12CA1
SCHEMBL9614845 0.81 CYP3A4 (0.50) MAPTTTRDPP4CA12CA1
SCHEMBL8359265 0.79 ERN1 (0.59) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL8359264 0.79 ERN1 (0.59) ALDH1A1MAPTGAALMNASMN1; 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