SCHEMBL7182998

SCHEMBL7182998

O=C(N[C@H](CS(=O)(=O)Cc1ccsc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1)C1CNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PRSS8 Q16651 2/20 0.42

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
SCHEMBL6464114 0.93 CTSS (0.61) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6062084 0.86 CTSS (0.51) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6062022 0.84 CTSL (0.42) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL7182996 0.82 FAAH (0.38) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7044343 0.80 CTSS (0.61) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6463867 0.79 CTSS (0.59) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6061819 0.79 CTSS (0.61) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7048617 0.79 CTSS (0.49) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7049521 0.78 CTSS (0.46) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL6464516 0.77 CTSS (0.50) CTSSCTSLCTSBCTSKCYP3A4

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