SCHEMBL7424022

SCHEMBL7424022

CC(C)CC(NCC(C(=O)O)c1ccc(-c2ccsc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
GRIA4 P48058 2/20 0.45
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
FOLH1 Q04609 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CYP2E1 P05181 1/20 0.36

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
SCHEMBL7420947 0.87 CTSK (0.45) CTSSCTSKCTSLCTSBMMP2
SCHEMBL7420389 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7427413 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7424801 0.84 CTSS (0.46) CTSSCTSKCTSLCTSBGRIA4
SCHEMBL7425607 0.83 CTSL (0.48) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7421684 0.81 S1PR4 (0.40) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7419482 0.80 GRN (0.49) CTSSCTSKMMP1MMP2MMP3
SCHEMBL7418370 0.80 PSEN1 (0.60) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7417901 0.79 FOLH1 (0.57) CTSSCTSKFOLH1MAPTMME
SCHEMBL7378949 0.79 MME (0.50) CTSSCTSKMMP9FOLH1MME

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