SCHEMBL7181300

SCHEMBL7181300

CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 2/20 0.47
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PRSS8 Q16651 2/20 0.42
XDH P47989 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL7043343 0.91 CTSS (0.49) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7046616 0.89 MMP12 (0.47) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7049727 0.87 CTSS (0.46) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6466058 0.82 FAAH (0.49) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6471948 0.81 CTSS (0.50) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6061690 0.81 CTSS (0.49) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6462739 0.81 CTSS (0.49) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7046177 0.81 CTSS (0.49) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6466909 0.77 DAGLA (0.56) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6466589 0.77 DAGLA (0.56) CTSSCTSLCTSBCTSKFAAH

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-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed