SCHEMBL28628663

SCHEMBL28628663

CC1(C)OB(c2cc(O)cc(O)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.44
LIPG Q9Y5X9 13/20 0.44
F11 P03951 2/20 0.40
FFAR1 O14842 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL16426120 0.95 LPL (0.44) LPLLIPGF11FFAR1F2
SCHEMBL14509140 0.88 ALDH1A1 (0.44) LPLLIPGF11FFAR1F2
SCHEMBL16426115 0.86 LPL (0.38) LPLLIPGF11FFAR1F2
SCHEMBL29925307 0.86 LPL (0.38) LPLLIPGF11FFAR1F2
SCHEMBL4244671 0.86 LPL (0.38) LPLLIPGF11FFAR1F2
SCHEMBL17592829 0.86 LPL (0.49) LPLLIPGF11FFAR1F2
SCHEMBL15649219 0.86 F11 (0.38) LPLLIPGF11FFAR1F2
SCHEMBL31240748 0.86 LPL (0.49) LPLLIPGF11FFAR1F2
SCHEMBL4252418 0.83 SNCA (0.39) LPLLIPGFFAR1CA1CA2
SCHEMBL13268660 0.83 GABRA1 (0.50) LPLLIPGF11FFAR1F2

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-113461555-B Preparation method of terbutaline 天津药业研究院股份有限公司 2025-06-17 CN claimed
CN-113461555-A Process for the preparation of terbutaline 天津药业研究院股份有限公司 2021-10-01 CN claimed
CN-120349290-B Resist, preparation method, composition, adhesive layer and pattern forming method 南开大学 2026-05-19 CN disclosed
CN-113461555-B Preparation method of terbutaline 天津药业研究院股份有限公司 2025-06-17 CN disclosed
WO-2025037870-A1 BENZOFURAN COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASES AND CANCER METASTASIS 한국생명공학연구원 2025-02-20 WO disclosed
CN-113461555-A Process for the preparation of terbutaline 天津药业研究院股份有限公司 2021-10-01 CN disclosed