SCHEMBL28360489

SCHEMBL28360489

CCOC(=O)c1ccccc1C(=O)OOC(C)CC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 4/20 0.53
CDC25B P30305 1/20 0.49
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.46
CA2 P00918 1/20 0.46
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL30716583 1.00 TSHR (0.66) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL30766153 0.92 TSHR (0.50) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL29124279 0.86 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10KDM4ETDP1
SCHEMBL28815185 0.84 TSHR (0.70) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL9492898 0.83 TSHR (0.88) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL22296 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL5306972 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL29404255 0.81 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL9067288 0.80 TSHR (0.81) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL19252611 0.79 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BKDM4E

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118067872-A High-flux detection method for 121 plastic additives in oily food 中国农业科学院农产品加工研究所 2024-05-24 CN claimed
CN-117664947-A Method for rapidly screening phthalate ester environmental hormone in edible oil 武汉食品化妆品检验所 2024-03-08 CN claimed
CN-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN claimed
CN-116381093-A Analysis method for phthalate migration amount in enrichment sample based on magnetic MOF material 浙江省产品质量安全科学研究院 2023-07-04 CN claimed
CN-116046932-A Method for measuring harmful components in water-based adhesive 国家烟草质量监督检验中心 2023-05-02 CN claimed
CN-116046933-A Method for determining phthalate in essence 国家烟草质量监督检验中心 2023-05-02 CN claimed
CN-115963212-A Method for detecting phthalate and metabolite thereof in agricultural products 山东省农业科学院 2023-04-14 CN claimed
CN-115656371-A Method for simultaneously and quantitatively determining environmental hormone and bactericide in edible essence 中国烟草总公司广东省公司 2023-01-31 CN claimed
CN-110850007-B Method for measuring phthalate component migration in filter stick by simulating real smoking of cigarette 云南中烟工业有限责任公司 2022-12-06 CN claimed
CN-111308003-B Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2022-11-08 CN claimed
CN-113189246-A Method for detecting phthalate plasticizer in child plastic toy by improved thermal cracking method 山东省产品质量检验研究院 2021-07-30 CN claimed
CN-112903884-A Method for simultaneously detecting phthalate compounds and metabolites thereof and application thereof 中国科学院深圳先进技术研究院 2021-06-04 CN claimed
CN-112611829-A Method for simultaneously determining multiple plasticizers and multiple pesticide residues in fruits 河北省农林科学院遗传生理研究所(河北省农林科学院农产品质量安全研究中心) 2021-04-06 CN claimed
CN-112305110-A Detection method suitable for ethyl ester type and glyceride type fish oil product plasticizers 舟山新诺佳生物工程有限责任公司 2021-02-02 CN claimed
CN-108459101-B Analysis method for determining residues of various pollutants in aquaculture water 张宪臣 2020-12-18 CN claimed
CN-108663445-B Analysis method for determining residues of various pollutants in acidic simulated soak solution of food contact material 张宪臣 2020-12-18 CN claimed
CN-108344822-B Analysis method for determining residues of various additives in food contact plastic products 张宪臣 2020-12-18 CN claimed
CN-111308003-A Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2020-06-19 CN claimed
CN-111215034-A Adsorbent and preparation method and application thereof 北京工商大学 2020-06-02 CN claimed
CN-110850007-A Method for measuring phthalate component migration in filter stick by simulating real smoking of cigarette 云南中烟工业有限责任公司 2020-02-28 CN claimed