SCHEMBL7363465

SCHEMBL7363465

CC(C)CC[C@H](CSc1ccc(N)cc1)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MMP1 P03956 4/20 0.34
FCER2 P06734 4/20 0.34
MMP9 P14780 2/20 0.34
ADAM17 P78536 1/20 0.34
MMP8 P22894 1/20 0.34
MMP2 P08253 2/20 0.34
TACR1 P25103 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP12 P39900 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
PSMB5 P28074 3/20 0.32
PSMB1 P20618 2/20 0.32
PSMB2 P49721 2/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32

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
SCHEMBL6413367 0.95 LMNA (0.40) LMNAMMP1FCER2MMP9ADAM17
SCHEMBL6417248 0.93 MMP1 (0.41) LMNAMMP1FCER2MMP9ADAM17
SCHEMBL6411770 0.86 MMP1 (0.44) LMNAMMP1FCER2MMP9ADAM17
SCHEMBL7360690 0.84 FCER2 (0.41) LMNAMMP1FCER2MMP9MMP8
SCHEMBL6420230 0.78 LMNA (0.41) LMNAMMP1MMP9MMP8MMP2
SCHEMBL7365448 0.76 MMP1 (0.55) MMP1FCER2MMP9ADAM17MMP8
SCHEMBL8749878 0.75 MMP1 (0.57) MMP1FCER2MMP9ADAM17MMP8
SCHEMBL7391172 0.74 MMP1 (0.47) MMP1FCER2MMP9ADAM17MMP8
SCHEMBL6412867 0.73 MMP3 (0.51) MMP1FCER2MMP9ADAM17MMP8
SCHEMBL7365016 0.70 FCER2 (0.45) MMP1FCER2MMP9ADAM17MMP8

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 4 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
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