SCHEMBL7420947

SCHEMBL7420947

CC(C)CC(NCC(C(=O)O)c1cccc(-c2ccsc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.45
CTSS P25774 11/20 0.45
CTSL P07711 9/20 0.45
CTSB P07858 5/20 0.43
PRMT6 Q96LA8 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL7424022 0.87 CTSS (0.51) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7424899 0.83 CTSK (0.50) CTSKCTSSCTSLCTSB
SCHEMBL7422599 0.82 GRN (0.47) CTSKCTSSCTSLCTSB
SCHEMBL7428422 0.80 AKR1C3 (0.45) CTSKCTSSCTSLCTSB
SCHEMBL7378949 0.79 MME (0.50) CTSKCTSS
SCHEMBL7421684 0.78 S1PR4 (0.40) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7421831 0.77 NTSR1 (0.54) CTSKCTSSCTSL
SCHEMBL5869139 0.75 FOLH1 (0.49) CTSKCTSSCTSLCTSBPRMT6
SCHEMBL7420340 0.75 MAPT (0.44) CTSKCTSSCTSL
SCHEMBL5869134 0.75 FOLH1 (0.49) CTSKCTSSCTSLCTSBPRMT6

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed