SCHEMBL10062353

SCHEMBL10062353

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 3/20 0.55
F2 P00734 1/20 0.55
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL14862140 0.89 ALDH1A1 (0.68) ALDH1A1TSHRTDP1HSD17B10LMNA
Hydrochloric Acid SCHEMBL27664621 0.83 TDP1 (0.96) ALDH1A1TSHRTDP1HSD17B10LMNA
Isopropyl Alcohol SCHEMBL28991515 0.82 TDP1 (0.86) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL1538514 0.81 TDP1 (0.57) ALDH1A1TSHRTDP1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL29071816 0.81 TSHR (1.00) ALDH1A1TSHRTDP1HSD17B10LMNA
Benzene SCHEMBL9464161 0.81 TSHR (1.00) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL9183136 0.81 TSHR (1.00) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL22820 0.81 TSHR (1.00) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL28771784 0.79 TDP1 (0.96) ALDH1A1TSHRTDP1HSD17B10LMNA
Methyl Alcohol SCHEMBL28396775 0.79 TDP1 (0.96) ALDH1A1TSHRTDP1HSD17B10LMNA

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-8178275-B2 Method for producing polymerized toner, polymerized toner, method for producing binder resin for toner and binder resin for toner CANON KABUSHIKI KAISHA (JP) 2012-05-15 US disclosed
US-20100119965-A1 METHOD FOR PRODUCING POLYMERIZED TONER, POLYMERIZED TONER, METHOD FOR PRODUCING BINDER RESIN FOR TONER AND BINDER RESIN FOR TONER CANON KABUSHIKI KAISHA (JP) 2010-05-13 US disclosed