SCHEMBL7526729

SCHEMBL7526729

CCOC(=O)C(C)(C)Cc1ccc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
APLNR P35414 1/20 0.45
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL14874337 0.81 MEN1 (0.48) ALDH1A1POLBTSHRCNR2MAPT
SCHEMBL29798733 0.81 MEN1 (0.48) ALDH1A1POLBTSHRCNR2MAPT
SCHEMBL29798734 0.81 MEN1 (0.48) ALDH1A1POLBTSHRCNR2MAPT
SCHEMBL3798352 0.78 KMT2A (0.50) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL7519994 0.77 CYP3A4 (0.46) POLBTSHRMAPK1CNR2KDM4E
SCHEMBL30482840 0.77 ALDH1A1 (0.53) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL21455751 0.77 ALDH1A1 (0.53) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL15460021 0.76 PPARA (0.55) ALDH1A1TSHRKDM4ESMN1; SMN2MEN1
SCHEMBL12802501 0.76 PPARA (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11554392 0.76 ALDH1A1 (0.44) ALDH1A1POLBTDP1TSHRMAPK1

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