SCHEMBL11615341

SCHEMBL11615341

CC(C)(C)OOC(=O)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.80
TSHR P16473 3/20 0.80
ALDH1A1 P00352 2/20 0.80
HSD17B10 Q99714 1/20 0.80
MAPK1 P28482 2/20 0.57
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.41
TNF P01375 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.37

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
Benzoyl Peroxide SCHEMBL1841580 0.93 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10MAPK1
SCHEMBL6659565 0.91 TDP1 (0.70) TDP1TSHRALDH1A1HSD17B10MAPK1
Benzoyl Peroxide SCHEMBL9251240 0.91 TDP1 (0.65) TDP1TSHRALDH1A1HSD17B10MAPK1
Benzoyl Peroxide SCHEMBL28074296 0.90 TDP1 (0.65) TDP1TSHRALDH1A1HSD17B10MAPK1
SCHEMBL27694994 0.90 TDP1 (0.65) TDP1TSHRALDH1A1HSD17B10MAPK1
Cumene Hydroperoxide SCHEMBL28261928 0.90 TDP1 (0.75) TDP1TSHRALDH1A1HSD17B10MAPK1
Benzoyl Peroxide SCHEMBL28049936 0.90 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10MAPK1
Hydrogen Peroxide SCHEMBL29071816 0.89 TSHR (1.00) TDP1TSHRALDH1A1HSD17B10MAPK1
SCHEMBL9183136 0.89 TSHR (1.00) TDP1TSHRALDH1A1HSD17B10MAPK1
SCHEMBL22820 0.89 TSHR (1.00) TDP1TSHRALDH1A1HSD17B10MAPK1

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
US-4113798-A TERPOLYMERS, GRAFT POLYMERS MONSANTO COMPANY (US) 1978-09-12 US disclosed
US-4083896-A Transparent polyblends MONSANTO COMPANY (US) 1978-04-11 US disclosed