SCHEMBL7865741

SCHEMBL7865741

CC(C)CC(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL29395041 0.93 TSHR (0.58) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL7741930 0.93 TSHR (0.58) ALDH1A1TSHRSCN1ASCN2ASCN3A
SCHEMBL10477481 0.88 ALDH1A1 (0.55) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL28994387 0.87 ALDH1A1 (0.62) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL28994536 0.87 ALDH1A1 (0.69) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL6255319 0.86 ALDH1A1 (0.64) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL2989810 0.86 ALDH1A1 (0.68) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL246586 0.85 ALDH1A1 (0.52) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL20079325 0.85 ALDH1A1 (0.62) ALDH1A1TSHRALOX15SCN1ASCN2A
SCHEMBL28546779 0.85 TSHR (0.70) ALDH1A1TSHRSCN1ASCN2ASCN3A

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 80 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-117310043-A Analysis method for rapidly screening various illegal additives in toner 中山海关技术中心 2023-12-29 CN claimed
CN-117233275-A Pretreatment and trace measurement method for measuring plasticizer in DHA crude oil 青岛琅琊台集团股份有限公司 2023-12-15 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-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-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-112229936-A Method for simultaneously detecting 33 plastic additives in food contact material 南京市产品质量监督检验院 2021-01-15 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-108459101-B Analysis method for determining residues of various pollutants in aquaculture water 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