SCHEMBL28773102

SCHEMBL28773102

CC(C)(C)c1ccccc1C(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 2/20 0.45
F2 P00734 1/20 0.45
TNF P01375 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HIF1A Q16665 2/20 0.42
MAPK1 P28482 1/20 0.42
RBP4 P02753 4/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL1790388 0.83 TDP1 (0.44) TDP1TSHRALDH1A1ATMCYP2C19
SCHEMBL1790386 0.81 ALDH1A1 (0.45) TDP1TSHRALDH1A1ATMCYP2C19
SCHEMBL29199324 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10MAPT
SCHEMBL260960 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10MAPT
Hydrogen Peroxide SCHEMBL28425777 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10MAPT
Hydrogen Peroxide SCHEMBL28474133 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10MAPT
SCHEMBL1953844 0.77 TSHR (0.59) TDP1TSHRALDH1A1HSD17B10MAPT
SCHEMBL1786261 0.77 TSHR (0.59) TDP1TSHRALDH1A1HSD17B10MAPT
Bicarbonate SCHEMBL28291099 0.76 ALDH1A1 (0.56) TDP1TSHRALDH1A1ATMMAPT
SCHEMBL18567268 0.75 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN claimed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN claimed
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN disclosed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN disclosed