SCHEMBL30426537

SCHEMBL30426537

CC1(C)OB(c2cc(Br)cc(C(=O)OC(F)(F)F)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
F2 P00734 3/20 0.36
F11 P03951 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
F10 P00742 1/20 0.32
HIF1A Q16665 1/20 0.32
P4HB P07237 1/20 0.32
LIPG Q9Y5X9 4/20 0.32
LPL P06858 3/20 0.32
LIPE Q05469 2/20 0.32
DGAT1 O75907 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL29016483 1.00 NOTUM (0.40) NOTUMF2F11PRSS1PRSS2
SCHEMBL29016492 0.84 NOTUM (0.40) NOTUMF2F11PRSS1PRSS2
SCHEMBL30426740 0.84 NOTUM (0.40) NOTUMF2F11PRSS1PRSS2
SCHEMBL310685 0.83 NOTUM (0.47) NOTUMHIF1AP4HBLIPGLPL
SCHEMBL16667362 0.79 P4HB (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL3718476 0.77 NOTUM (0.41) NOTUMHIF1AP4HBLIPGLPL
SCHEMBL15649232 0.75 CA1 (0.47) NOTUMF2F11PRSS1PRSS2
SCHEMBL2825580 0.73 UCHL1 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL29016498 0.73 LIPG (0.48) P4HBLIPGLPLDGAT1
SCHEMBL16518356 0.73 HTR2B (0.32) HIF1ALIPGLPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN claimed
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN disclosed