SCHEMBL7358630

SCHEMBL7358630

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
MMP1 P03956 6/20 0.40
PSMB5 P28074 5/20 0.40
MMP8 P22894 2/20 0.40
PSMB1 P20618 1/20 0.40
PSMB2 P49721 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MMP2 P08253 9/20 0.39
MMP3 P08254 5/20 0.39

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
SCHEMBL7357691 0.91 CTSL (0.45) CTSLMMP1PSMB5MMP8PSMB1
SCHEMBL7360065 0.85 MMP1 (0.51) MMP1MMP8MMP2MMP3
SCHEMBL7357715 0.84 NPC1 (0.49) MMP1PSMB5MMP8PSMB1PSMB2
SCHEMBL7354243 0.84 NAALAD2 (0.52) MMP2
SCHEMBL8749847 0.84 NAALAD2 (0.52) MMP2
SCHEMBL7363512 0.83 MMP3 (0.45) MMP1PSMB5MMP8PSMB1PSMB2
SCHEMBL7364715 0.82 L3MBTL1 (0.45) MMP1MMP8
SCHEMBL7357664 0.82 ALDH1A1 (0.54)
SCHEMBL7357404 0.81 CHRNB2 (0.48)
SCHEMBL7363203 0.77 MMP1 (0.40) MMP1MMP8MMP2MMP3

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