SCHEMBL7420933

SCHEMBL7420933

CCOC(=O)N(CCc1ccc(-c2cccnc2)cc1)[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.46
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
MMP12 P39900 2/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GPR88 Q9GZN0 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
SCHEMBL7422349 0.92 AAK1 (0.43) CTSLCTSBMMP12LMNAMMP13
SCHEMBL7415842 0.88 HSD17B10 (0.43) CTSLCTSBMMP12LMNATDP1
SCHEMBL7429544 0.84 LMNA (0.45) CTSLCTSBLMNAALDH1A1POLB
SCHEMBL7426026 0.84 HCAR2 (0.39) CTSBLMNAKMT2AALDH1A1POLB
SCHEMBL7421321 0.82 NTSR1 (0.40) LMNAKMT2AALDH1A1POLBHSD17B10
SCHEMBL7425766 0.77 PSMB5 (0.49) PSMB5CTSLMMP12GPR88
SCHEMBL7424092 0.77 PSMB5 (0.49) PSMB5CTSLMMP12GPR88
SCHEMBL5870237 0.77 MMP12 (0.44) PSMB5CTSLCTSBMMP12NAAA
SCHEMBL5870227 0.77 MMP12 (0.44) PSMB5CTSLCTSBMMP12NAAA
SCHEMBL5870230 0.77 MMP12 (0.44) PSMB5CTSLCTSBMMP12NAAA

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 disclosed