SCHEMBL7182996

SCHEMBL7182996

O=C(N[C@H](CS(=O)(=O)Cc1ccsc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
CTSS P25774 17/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PRSS8 Q16651 1/20 0.33

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
SCHEMBL6062089 0.93 CTSS (0.43) FAAHCES1DAGLACTSSCTSL
SCHEMBL7046914 0.86 CTSS (0.36) FAAHCES1DAGLACTSSCTSL
SCHEMBL7043352 0.85 DAGLA (0.39) FAAHCES1DAGLACTSSCTSL
SCHEMBL7182998 0.82 CTSS (0.52) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7048614 0.80 DAGLA (0.41) FAAHCES1DAGLACTSSCTSL
SCHEMBL7183163 0.80 CTSS (0.43) FAAHCES1DAGLACTSSCTSL
SCHEMBL6463860 0.80 CTSS (0.43) FAAHCES1DAGLACTSSCTSL
SCHEMBL7049518 0.79 DAGLA (0.46) FAAHCES1DAGLA
SCHEMBL6465501 0.77 LONP1 (0.43) FAAHCES1DAGLACTSL
SCHEMBL6464114 0.76 CTSS (0.61) 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