SCHEMBL4028087

SCHEMBL4028087

CCOC(=O)Cc1ccccc1C(=O)OCC.CCOC(=O)c1ccccc1C(Br)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 1/20 0.40
CDC25B P30305 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL1893192 0.88 TSHR (0.62) TSHRL3MBTL1ALDH1A1HSD17B10CDC25B
SCHEMBL19953657 0.85 PKM (0.47) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL1898535 0.85 TSHR (0.67) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL7422565 0.78 TSHR (0.51) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL2597713 0.78 TSHR (0.56) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL2644268 0.78 TSHR (0.56) TSHRL3MBTL1ALDH1A1HSD17B10PKM
SCHEMBL2597760 0.77 TSHR (0.49) TSHRALDH1A1HSD17B10TDP1KDM4E
SCHEMBL19960628 0.76 PKM (0.48) TSHRL3MBTL1ALDH1A1HSD17B10PKM
Acetic Acid SCHEMBL27725670 0.74 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11273360 0.74 PIN1 (0.41) TSHRL3MBTL1TDP1CYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed