SCHEMBL7415173

SCHEMBL7415173

CCC(C)C(NC(=O)OCc1ccccc1)C(CCCc1ccccc1)(C(=O)c1nc2ccccc2o1)S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.41
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
ELANE P08246 2/20 0.39
CA1 P00915 1/20 0.39
ATM Q13315 1/20 0.38
CA5A P35218 2/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL7045289 0.88 PRSS8 (0.45) PRSS8FAAHCES1DAGLAHDAC1
SCHEMBL7042166 0.78 DAGLA (0.44) PRSS8FAAHCES1DAGLACTSL
SCHEMBL6062562 0.78 DAGLA (0.44) PRSS8FAAHCES1DAGLACTSL
SCHEMBL6062828 0.76 PRSS8 (0.43) PRSS8FAAHCES1DAGLAHDAC1
SCHEMBL7042850 0.74 PRSS8 (0.46) PRSS8ELANECA1ATMCA5A
SCHEMBL7044871 0.73 FAAH (0.40) PRSS8FAAHCES1DAGLAELANE
SCHEMBL7042854 0.71 PRSS8 (0.49) PRSS8ELANECTSLCTSBCTSS
SCHEMBL7415176 0.71 ELANE (0.44) PRSS8ELANEATMCTSS
SCHEMBL6632064 0.66 FAAH (0.37) FAAHCES1DAGLACTSSXDH
SCHEMBL6466347 0.65 CTSK (0.58) CTSLCTSBCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed