SCHEMBL8896071

SCHEMBL8896071

Cc1ccc(C(=O)OOC(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
TDP1 Q9NUW8 3/20 0.69
TSHR P16473 1/20 0.69
HSD17B10 Q99714 1/20 0.69
LMNA P02545 2/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
NLRP1 Q9C000 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
NTSR1 P30989 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
SCHEMBL27601087 0.94 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL10985472 0.94 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL11126724 0.92 TSHR (0.80) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL2884831 0.89 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHSD17B10LMNA
Toluene SCHEMBL27482935 0.87 TDP1 (0.86) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL476527 0.86 ALDH1A1 (0.71) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL7647018 0.85 TSHR (0.65) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL9850336 0.85 TDP1 (0.52) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL28647699 0.84 ALDH1A1 (0.75) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL64626 0.83 TDP1 (0.70) ALDH1A1TDP1LMNACES2CES1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026372-B Modified filler particles and silicone compositions containing the same 莫门蒂夫性能材料有限公司 2022-03-15 CN disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed
EP-0776945-A2 Radiation-curable coating composition useful for protecting electronic circuitry and method of curing the same Dow Corning Toray Silicone Company, Limited (JP) 1997-06-04 EP disclosed
US-4451634-A PEROXYESTER, VINYLHYDROGENPOLYSILOXANE GENERAL ELECTRIC COMPANY (US) 1984-05-29 US disclosed
US-4207288-A ANALYSIS OF PHOTOPOLYMERIZATION BY MEASUREMENT OF EXOTHERMIC REACTION ARMSTRONG CORK COMPANY (US) 1980-06-10 US disclosed
US-4171252-A Peroxy photoinitiator system for photopolymerizable compositions ARMSTRONG CORK COMPANY (US) 1979-10-16 US disclosed