SCHEMBL7741879

SCHEMBL7741879

CC(CCC(C)(C)OOC(=O)c1ccccc1)COOC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL3629558 0.85 TDP1 (0.58) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL43962 0.83 TDP1 (0.72) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL3630040 0.80 LMNA (0.48) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL20457633 0.80 ALDH1A1 (0.53) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28080657 0.78 TDP1 (0.83) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28733 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
Tert-Butyl Hydroperoxide SCHEMBL28098403 0.77 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL29625946 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL2464406 0.77 TDP1 (0.74) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL770326 0.76 TDP1 (0.51) TDP1TSHRALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426324-B1 OXIDATION RESISTANCE NOVEON IP HOLDINGS CORP. 2002-07-30 US disclosed