SCHEMBL28837745

SCHEMBL28837745

CC(C)(C)OC(=O)C(Cc1ccccc1)C(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
ATM Q13315 1/20 0.44
MMP8 P22894 1/20 0.43
ACE P12821 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MDM2 Q00987 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
SLC7A5 Q01650 2/20 0.42
SRR Q9GZT4 1/20 0.41
EPHX1 P07099 1/20 0.41
KLK5 Q9Y337 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL9160311 0.88 ITGA4 (0.52) ITGA4ITGB7ATMMMP8ACE
SCHEMBL1595565 0.86 ITGA4 (0.51) ITGA4ITGB7ATMMMP8ACE
SCHEMBL1595571 0.86 ITGA4 (0.51) ITGA4ITGB7ATMMMP8ACE
SCHEMBL4909735 0.86 ITGA4 (0.51) ITGA4ITGB7ATMMMP8ACE
SCHEMBL5711183 0.85 ITGA4 (0.48) ITGA4ITGB7ATMMMP8ACE
SCHEMBL8071397 0.85 ITGA4 (0.48) ITGA4ITGB7ATMMMP8ACE
SCHEMBL6464419 0.84 ITGA4 (0.47) ITGA4ITGB7ATMMMP8ACE
SCHEMBL27278080 0.83 SLC7A5 (0.50) ITGA4ITGB7ATMACESLC7A5
SCHEMBL27285682 0.83 ITGA4 (0.43) ITGA4ITGB7ATMMMP8ACE
SCHEMBL27280085 0.82 ACE (0.45) ITGA4ITGB7ATMMMP8ACE

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-109942514-B Method for preparing azalazavir sulfate intermediate 淮海工学院 2022-09-09 CN claimed
CN-109942514-B Method for preparing azalazavir sulfate intermediate 淮海工学院 2022-09-09 CN disclosed