SCHEMBL6423362

SCHEMBL6423362

CC(C)(OC(=O)c1ccccc1)C(=O)C(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
TDP1 Q9NUW8 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.44
SLC6A3 Q01959 2/20 0.42
HTR1A P08908 1/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 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
SCHEMBL9888221 0.88 TDP1 (0.55) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL16576962 0.86 TDP1 (0.53) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL11793193 0.84 TDP1 (0.52) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL29199324 0.83 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL28474133 0.83 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL28425777 0.83 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL1953844 0.83 TSHR (0.59) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL1786261 0.83 TSHR (0.59) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL260960 0.83 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL15304709 0.81 TSHR (0.49) TSHRTDP1ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150275268-A1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2015-10-01 US disclosed
US-6921633-B2 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS INCORPORATED (US) 2005-07-26 US disclosed
US-6310273-B1 AMPLIFIYING DISEASE RESISTANCE IN PLANTS; TRANSFORMING PLANT, EXPRESS GENE OF INTEREST, MONITOR PLANT FOR RESISTANCE TO DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-30 US disclosed
WO-2000009664-A9 INHIBITING APOPTOSIS IN PLANTS USING A CASPASE INHIBITOR UNIV CALIFORNIA (US) 2000-09-08 WO disclosed
WO-2000009664-A1 INHIBITING APOPTOSIS IN PLANTS USING A CASPASE INHIBITOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-24 WO disclosed