SCHEMBL7140474

SCHEMBL7140474

CC(C)(C)OOC(=O)c1ccccc1.CC(C)(C)OOC(=O)c1ccccc1C(=O)OOC(C)(C)C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.86
TDP1 Q9NUW8 5/20 0.86
ALDH1A1 P00352 3/20 0.86
HSD17B10 Q99714 1/20 0.86
LMNA P02545 2/20 0.55
F2 P00734 1/20 0.55
SLC6A3 Q01959 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ELANE P08246 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
HTR1A P08908 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39

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
Benzene SCHEMBL9464161 0.93 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Benzene SCHEMBL12472151 0.93 TSHR (0.71) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL29071816 0.93 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL22820 0.93 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL9183136 0.93 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL28771784 0.91 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Ammonia Solution, Strong SCHEMBL27551383 0.91 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL11143628 0.91 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Methyl Alcohol SCHEMBL28396775 0.91 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Bicarbonate SCHEMBL28102775 0.91 TDP1 (0.96) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506823-B2 Protective coatings RAFFI & SWANSON, INCORPORATED 2003-01-14 US disclosed
US-20020132885-A1 Nitrocellulose based coating compositions RAFFI & SWANSON, INC. 2002-09-19 US disclosed