SCHEMBL7355504

SCHEMBL7355504

CC(C)CCCC(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cccn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MMP8 P22894 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
LAP3 P28838 2/20 0.37
CTSL P07711 2/20 0.37
AKT1 P31749 1/20 0.37
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
CTSS P25774 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
SCHEMBL7364715 0.85 L3MBTL1 (0.45) TACR2L3MBTL1MMP8MMP1CHRNB2
SCHEMBL7357404 0.84 CHRNB2 (0.48) TACR2L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL7360065 0.81 MMP1 (0.51) MMP8MMP1MMP3
SCHEMBL7357715 0.80 NPC1 (0.49) MMP8MMP1PSMB1PSMB5PSMB2
SCHEMBL8749847 0.79 NAALAD2 (0.52) L3MBTL1
SCHEMBL7354243 0.79 NAALAD2 (0.52) L3MBTL1
SCHEMBL7363512 0.79 MMP3 (0.45) KMT2AMMP8MMP1MMP3PSMB1
SCHEMBL7357691 0.78 CTSL (0.45) MMP8MMP1MMP3PSMB1PSMB5
SCHEMBL7357664 0.77 ALDH1A1 (0.54)
SCHEMBL7628056 0.76 MMP8 (0.51) L3MBTL1KMT2AMMP8MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed