SCHEMBL28588606

SCHEMBL28588606

CC(C)(C)C(COC(N)=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
DGAT1 O75907 1/20 0.36
F11 P03951 4/20 0.32
F2 P00734 3/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
UCHL1 P09936 1/20 0.31
F10 P00742 1/20 0.31
USP30 Q70CQ3 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL22075118 0.85 FFAR1 (0.46) FFAR1DGAT1F11F2PRSS1
SCHEMBL18979268 0.80 FFAR1 (0.40) FFAR1DGAT1UCHL1
SCHEMBL28410412 0.78 FFAR1 (0.48) FFAR1DGAT1
SCHEMBL28410414 0.78 FFAR1 (0.48) FFAR1DGAT1
SCHEMBL2543013 0.77 FFAR1 (0.48) FFAR1DGAT1F11F2PRSS1
SCHEMBL28588609 0.76 FFAR1 (0.57) FFAR1DGAT1F11F2PRSS1
SCHEMBL837310 0.75 FFAR1 (0.51) FFAR1DGAT1F11F2PRSS1
SCHEMBL18895313 0.74 FFAR1 (0.47) FFAR1DGAT1F11F2PRSS1
SCHEMBL17801161 0.74 FFAR1 (0.48) FFAR1DGAT1F11F2PRSS1
SCHEMBL17815975 0.74 FFAR1 (0.48) FFAR1DGAT1AAK1UCHL1USP30

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-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 CN disclosed
CN-105777776-B Inhibitors of protein tyrosine kinase activity 梅特希尔基因公司 2021-06-08 CN disclosed