SCHEMBL7360690

SCHEMBL7360690

COC(=O)CSC[C@@H](CCC(C)C)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 2/20 0.41
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CTSL P07711 4/20 0.34
CTSB P07858 4/20 0.34
CYP3A4 P08684 1/20 0.34
TACR1 P25103 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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 0.87 LMNA (0.40) FCER2LMNAMMP9MMP8TACR1
SCHEMBL6417248 0.85 MMP1 (0.41) FCER2LMNAMMP9MMP8CTSL
SCHEMBL6411770 0.84 MMP1 (0.44) FCER2LMNAMMP9MMP8CYP3A4
SCHEMBL7363465 0.84 LMNA (0.37) FCER2LMNAMMP9MMP8TACR1
SCHEMBL7364461 0.82 FCER2 (0.47) FCER2MMP9MMP8MMP1MMP2
SCHEMBL6420230 0.79 LMNA (0.41) LMNAMMP9MMP8CYP3A4MMP1
SCHEMBL6414511 0.71 FCER2 (0.44) FCER2MMP1MMP2
SCHEMBL7430536 0.69 MMP1 (0.46) FCER2MMP9MMP8MMP1MMP2
SCHEMBL7361142 0.68 FCER2 (0.46) FCER2MMP9MMP8MMP1MMP2
SCHEMBL7365448 0.68 MMP1 (0.55) FCER2MMP9MMP8MMP1MMP2

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