SCHEMBL28518702

SCHEMBL28518702

CC(C)(C)OOc1ccccc1C(=O)OOC(=O)c1ccccc1OOC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ELANE P08246 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL1469285 0.92 HSD17B10 (0.45) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL4320439 0.90 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL2507510 0.89 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL31571285 0.85 ELANE (0.58) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL29288745 0.85 HSD17B10 (0.53) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL28567814 0.85 TSHR (0.41) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL153852 0.84 KDM4E (0.55) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL27807578 0.82 TDP1 (0.54) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL6467074 0.81 ELANE (0.44) HSD17B10ALDH1A1TSHRTDP1ELANE
SCHEMBL11655234 0.81 TSHR (0.66) HSD17B10ALDH1A1TSHRTDP1ELANE

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-117913392-A Solid metal M secondary battery, solid electrolyte thereof, preparation and application of synergistic additive 中南大学 2024-04-19 CN claimed
CN-114920867-B Vinylidene fluoride copolymer with controllable particle size distribution and preparation method thereof 万华化学(四川)有限公司 2024-02-02 CN claimed
CN-116914241-A Solid-state battery and double-initiation in-situ preparation method thereof 中南大学 2023-10-20 CN claimed
CN-118234377-A Method for improving efficacy of herbicides 巴斯夫欧洲公司 2024-06-21 CN disclosed
CN-115819909-B Macroporous acrylic hydroxamic acid chelate resin and preparation method thereof 广东省科学院资源利用与稀土开发研究所 2024-05-03 CN disclosed
CN-117913392-A Solid metal M secondary battery, solid electrolyte thereof, preparation and application of synergistic additive 中南大学 2024-04-19 CN disclosed
CN-114920867-B Vinylidene fluoride copolymer with controllable particle size distribution and preparation method thereof 万华化学(四川)有限公司 2024-02-02 CN disclosed
CN-117413010-A Auxiliary cross-linking agent composition for olefin copolymer, cross-linking composition and additive for optical device packaging agent composition 株式会社LG化学 2024-01-16 CN disclosed
CN-114122512-B Solid electrolyte, method for preparing the same, and solid secondary battery comprising the same 合肥工业大学 2023-07-25 CN disclosed
CN-112300328-A Functionalized modified polyolefin adhesive resin and preparation method thereof 中石化南京化工研究院有限公司 2021-02-02 CN disclosed