SCHEMBL28539833

SCHEMBL28539833

COC(=O)C(C)(CC(=O)OCC(C)C)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
ACP1 P24666 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA14 Q9ULX7 2/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
MMP8 P22894 1/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27849585 0.98 TSHR (0.32) TSHRPTPN1PTPRBACP1TDP1
SCHEMBL17179896 0.89 TSHR (0.33) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL17179898 0.75 TSHR (0.33) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL2469853 0.74 HMGCR (0.38) TSHRPTPN1PTPRBTDP1
SCHEMBL23781769 0.74 CYP19A1 (0.36) TDP1CA12CA9ALDH1A1
SCHEMBL6892214 0.72 TSHR (0.43) TSHRTDP1L3MBTL1MMP8ALDH1A1
SCHEMBL234737 0.72 TSHR (0.43) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL27699071 0.71 GAA (0.36) TSHRPTPN1PTPRBACP1CA14
SCHEMBL560964 0.71 TSHR (0.39) TSHRTDP1L3MBTL1MMP8EPHX2
SCHEMBL31058602 0.70 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1

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-115843818-A Oil suspending agent containing mancozeb and fluopyram 利民化学有限责任公司 2023-03-28 CN claimed
CN-112369417-A Synergistic auxiliary agent for improving thrips prevention and treatment effect and preparation and use method thereof 中化化工科学技术研究总院有限公司 2021-02-19 CN claimed
CN-117181032-A Device for dynamically monitoring oil phase emulsification and demulsification degree and application method thereof 中国石油化工股份有限公司 2023-12-08 CN disclosed
CN-115843818-A Oil suspending agent containing mancozeb and fluopyram 利民化学有限责任公司 2023-03-28 CN disclosed
CN-112369417-B Synergistic auxiliary agent for improving thrips prevention and treatment effect and preparation and use method thereof 中化化工科学技术研究总院有限公司 2022-04-05 CN disclosed
CN-112369417-A Synergistic auxiliary agent for improving thrips prevention and treatment effect and preparation and use method thereof 中化化工科学技术研究总院有限公司 2021-02-19 CN disclosed