SCHEMBL8749847

SCHEMBL8749847

CC(C)CCCC(=O)N(O)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.52
MME P08473 9/20 0.51
ACE P12821 8/20 0.51
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
PTPN1 P18031 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL7354243 1.00 NAALAD2 (0.52) NAALAD2MMEACECPA1ACE2
SCHEMBL7360065 0.90 MMP1 (0.51) MMP2MMP7MMP9
SCHEMBL7357715 0.89 NPC1 (0.49) LMNAMMP9
SCHEMBL7363512 0.88 MMP3 (0.45) MMP2
SCHEMBL7357691 0.87 CTSL (0.45) MMEACEMMP2
SCHEMBL7364715 0.86 L3MBTL1 (0.45) NAALAD2MMEACEL3MBTL1
SCHEMBL7357664 0.86 ALDH1A1 (0.54)
SCHEMBL7357404 0.85 CHRNB2 (0.48) L3MBTL1
SCHEMBL7358630 0.84 CTSL (0.43) MMP2
SCHEMBL7365041 0.82 MMP9 (0.55) NAALAD2MMEACEMMP9

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
US-5691382-A ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-11-25 US disclosed
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed