SCHEMBL28901006

SCHEMBL28901006

CC1C(OS(C)(=O)=O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.53
TSHR P16473 2/20 0.52
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
ACE2 Q9BYF1 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PRCP P42785 1/20 0.48
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.48

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
SCHEMBL30845587 0.85 PREP (0.53) PREPTSHRKLK7KLK5CYP3A4
SCHEMBL16105052 0.81 FKBP1A (0.50) PREPTSHRCYP3A4MAPTCYP2C9
SCHEMBL10310512 0.81 PREP (0.56) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL3011829 0.81 PREP (0.56) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL14635896 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL3088051 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL3076586 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL3088055 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL12612788 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2
SCHEMBL14635897 0.80 PREP (0.55) PREPTSHRRAB9ANPSR1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005640-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-05-10 CN disclosed
CN-111918651-B GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-01-30 CN disclosed
CN-111918651-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2020-11-10 CN disclosed