SCHEMBL8580711

SCHEMBL8580711

CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCOC(=O)C1(NC(=O)OC(C)(C)C)CCc2ccccc2C1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
CYP1A2 P05177 1/20 0.39
CTSK P43235 5/20 0.38
PSMB5 P28074 2/20 0.38
CTSB P07858 1/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
ELANE P08246 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL30579791 0.71 GHSR (0.36) CTSKCTSS
SCHEMBL29813564 0.71 SYK (0.60) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL30407619 0.71 SYK (0.60) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL29233251 0.71 SYK (0.60) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL17616879 0.71 SYK (0.60) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL17616957 0.71 SYK (0.60) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL30387033 0.70 SYK (0.63) SYKCYP1A2CTSKCTSBCTSL
SCHEMBL8582291 0.69 SYK (0.42) SYKCYP1A2CTSKPSMB5NTSR1
SCHEMBL8582293 0.69 SYK (0.44) SYKCYP1A2CTSKPSMB5CTSB
SCHEMBL31027104 0.69 SYK (0.57) SYKCTSKCTSBATMCTSL

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-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed