SCHEMBL28689244

SCHEMBL28689244

CC1(C)OB(c2cc(F)c(CCC(=O)O)cc2F)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
ROCK1 Q13464 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 12/20 0.38
FFAR4 Q5NUL3 10/20 0.38
POLB P06746 1/20 0.35
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PKM P14618 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL27143661 0.80 ROCK1 (0.55) LIPGROCK1FFAR1FFAR4POLB
SCHEMBL25241808 0.80 ROCK1 (0.37) LIPGROCK1CXCR2
SCHEMBL17165827 0.79 ROCK1 (0.36) LIPGROCK1CXCR2
SCHEMBL31254711 0.79 ROCK1 (0.36) LIPGROCK1CXCR2
SCHEMBL17525546 0.79 ROCK1 (0.38) LIPGROCK1CXCR2
SCHEMBL22527705 0.77 ROCK1 (0.39) ROCK1CXCR2
SCHEMBL29535058 0.77 ROCK1 (0.39) ROCK1CXCR2
SCHEMBL1646761 0.76 LPL (0.44) LIPGROCK1
SCHEMBL22748403 0.76 LIPG (0.48) LIPGROCK1
SCHEMBL902458 0.75 LIPG (0.49) LIPGNPSR1FFAR1POLBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113853371-A GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2021-12-28 CN disclosed