SCHEMBL7065955

SCHEMBL7065955

CC(C)C[C@H](N)B(O)O.O=C=N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.43
▸ CTNNB1 P35222 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MME P08473 2/20 0.39
▸ ACE P12821 2/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ REN P00797 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ METAP2 P50579 2/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSD P07339 1/20 0.36

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
Leucine SCHEMBL27478083 0.88 CTNNB1 (0.41) PSMB5CTNNB1MMP2MMP9MMP8
Leucine SCHEMBL2294646 0.85 CTNNB1 (0.39) PSMB5CTNNB1MMP2MMP9MMP8
Leucine SCHEMBL27470090 0.85 CTNNB1 (0.39) PSMB5CTNNB1MMP2MMP9MMP8
SCHEMBL30885174 0.84 CTNNB1 (0.52) CTNNB1MMP9MMP8MMEACE
SCHEMBL2295176 0.83 PSMB5 (0.47) PSMB5CTNNB1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL2297582 0.82 PSMB5 (0.47) PSMB5CTNNB1MMP2MMP9MMP8
Alanine SCHEMBL671385 0.81 PSMB5 (0.46) PSMB5CTNNB1MMP2MMP9MMP8
Levacetylleucine SCHEMBL6674776 0.76 PSMB5 (0.48) PSMB5MMP2MMP9MMP8MME
Leucine SCHEMBL27471555 0.74 MAPT (0.47) PSMB5CTNNB1MMEACECPA1
SCHEMBL233988 0.73 MMP2 (0.48) PSMB5MMP2MMP9MMP8MME

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
US-20030003583-A1 Regulation of transgene expression following AAV transduction CHILDREN'S HOSPITAL RESEARCH FOUNDATION 2003-01-02 — — US disclosed
Send feedback