SCHEMBL5897840

SCHEMBL5897840

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.62
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 2/20 0.46
F2 P00734 1/20 0.46
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A3 Q01959 3/20 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
SCN3A Q9NY46 1/20 0.39
ADRB2 P07550 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
Benzoyl Peroxide SCHEMBL5897837 0.90 TDP1 (0.71) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL27565889 0.90 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL2464406 0.89 TDP1 (0.74) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL263307 0.85 TDP1 (0.86) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28080657 0.83 TDP1 (0.83) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL10457148 0.83 ACHE (0.48) TDP1TSHRALDH1A1HSD17B10MAPT
Tert-Butyl Hydroperoxide SCHEMBL28098403 0.82 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL27961460 0.82 TSHR (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL43962 0.81 TDP1 (0.72) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL2462000 0.81 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA

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
US-20060074170-A1 Thermoplastic elastomer, composition, gasket, molded gasket and structure for sealing between two members NOK CORPOATION (JP) 2006-04-06 US disclosed