SCHEMBL6868882

SCHEMBL6868882

O=C(OC(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
F2 P00734 1/20 0.56
TSHR P16473 4/20 0.52
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A3 Q01959 2/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44

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
SCHEMBL11059861 0.83 TSHR (0.55) LMNAF2TSHRMAPK1HIF1A
SCHEMBL7174239 0.83 LMNA (0.52) LMNAF2TSHRMAPK1HIF1A
Benzoyl Peroxide SCHEMBL29013790 0.82 LMNA (0.63) LMNAF2TSHRMAPK1HIF1A
SCHEMBL28706308 0.81 LMNA (0.61) LMNAF2TSHRMAPK1HIF1A
SCHEMBL9446028 0.79 MAPK1 (0.48) LMNAF2TSHRMAPK1HIF1A
SCHEMBL27622624 0.79 TDP1 (0.52) LMNAF2TSHRMAPK1HIF1A
SCHEMBL11229100 0.79 TDP1 (0.52) LMNAF2TSHRMAPK1HIF1A
Methyl Benzoate SCHEMBL30502050 0.79 TSHR (0.66) LMNAF2TSHRTDP1ALDH1A1
SCHEMBL28898522 0.79 LMNA (0.58) LMNAF2TSHRMAPK1HIF1A
Benzoyl Peroxide SCHEMBL6268778 0.79 LMNA (0.81) LMNAF2TSHRMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789944-A Composite catalyst for catalyzing polymerization of low-tension five-membered ring lactone monomer to prepare high-molecular-weight polyester, and preparation method and application thereof 迈奇化学股份有限公司 2023-09-22 CN disclosed
CN-114891221-B Poly (gamma-thiobutyrolactone) 中国科学院上海有机化学研究所 2023-09-15 CN disclosed
CN-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed
CN-112730699-A Method and kit for detecting catecholamine and metabolites in blood plasma 杭州汉库医学检验所有限公司 2021-04-30 CN disclosed
CN-108606360-A A kind of application of two esters tobacco aromaticss in cigarette 河南中烟工业有限责任公司 2018-10-02 CN disclosed
CN-100486963-C Sulfonium salt compound WAKO PURE CHEM IND LTD (JP) 2009-05-13 CN disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
CN-1302799-A Sulfonium salt compound WAKO PURE CHEM IND LTD (JP) 2001-07-11 CN disclosed
CN-1108640-A lithiation of 1,3-bis(trifluoromethyl)benzene HOFFMANN LA ROCHE (CH) 1995-09-20 CN disclosed
CN-1028994-C Lithiation of 1, 3-bis (trifluoromethyl) benzene HOFFMANN LA ROCHE (CH) 1995-06-21 CN disclosed