SCHEMBL9860726

SCHEMBL9860726

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.40
F2 P00734 1/20 0.40
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5665671 0.85 TSHR (0.49) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL4462319 0.84 LMNA (0.47) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL8166783 0.84 LMNA (0.47) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL10340068 0.83 LMNA (0.57) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL29389199 0.80 TDP1 (0.51) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL6561805 0.79 LMNA (0.52) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28922670 0.78 TSHR (0.67) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL1450846 0.75 TDP1 (0.51) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28984375 0.75 TDP1 (0.58) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL5055172 0.74 LMNA (0.46) 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-5077326-A Vinyl monomer, alkane polyol (meth)acrylate, thermoplastic res in and curing catalyst TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1991-12-31 US disclosed