SCHEMBL9183136

SCHEMBL9183136

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
ALDH1A1 P00352 4/20 1.00
HSD17B10 Q99714 1/20 1.00
LMNA P02545 2/20 0.64
F2 P00734 1/20 0.64
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A3 Q01959 2/20 0.42
HTR1A P08908 1/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL22820 1.00 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrogen Peroxide SCHEMBL29071816 1.00 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Benzene SCHEMBL9464161 1.00 TSHR (1.00) TSHRTDP1ALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL27664621 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Methyl Alcohol SCHEMBL28396775 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL11143628 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Water SCHEMBL28159582 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL27627330 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL28771784 0.98 TDP1 (0.96) TSHRTDP1ALDH1A1HSD17B10LMNA
Methane SCHEMBL27867863 0.98 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164217-B2 Thermoplastic elastomer composition MITSUI PETROCHEMICAL IND (JP) 1995-08-09 EP disclosed