SCHEMBL7524368

SCHEMBL7524368

CCOC(=O)C=Cc1c(OC(C)=O)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
MITF O75030 1/20 0.52
HSP90AA1 P07900 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TLR9 Q9NR96 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
BACE1 P56817 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL7526612 1.00 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL2691222 0.87 CYP1A2 (0.65) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL2785457 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL7523071 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL71029 0.78 MTNR1A (0.48) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL6851358 0.78 CA12 (0.56) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL2551628 0.78 MTNR1A (0.51) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL2551627 0.78 MTNR1A (0.51) ALDH1A1MAPTMAPK1LMNAMITF
SCHEMBL3268742 0.77 MAPT (0.60) MAPTMAPK1LMNAHPGDNPSR1
SCHEMBL11263151 0.76 KDM4E (0.51) ALDH1A1MAPTLMNAHSP90AA1HPGD

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