SCHEMBL6135862

SCHEMBL6135862

CC(C)(C)[C@H](NC(=O)C(CNC(=O)OCc1ccccc1)CC1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 6/20 0.46
MMP13 P45452 3/20 0.46
CCR1 P32246 1/20 0.44
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42

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
SCHEMBL3318363 0.87 SRD5A1 (0.46) MMP1MMP13CCR1CTSBCTSS
SCHEMBL3319639 0.87 CTSL (0.43) MMP1MMP13CCR1CTSSCTSK
SCHEMBL3323193 0.87 CTSS (0.43) MMP1MMP13CCR1CTSBCTSS
SCHEMBL3317918 0.86 MMP1 (0.45) MMP1MMP13CTSSCTSKCTSL
SCHEMBL6135874 0.85 MEN1 (0.55) MEN1KMT2ACCR1POLB
SCHEMBL2794578 0.85 MMP1 (0.41) MMP1MMP13CCR1CTSBCTSS
SCHEMBL3320473 0.85 CTSL (0.41) MEN1KMT2AMMP1MMP13CCR1
SCHEMBL2797087 0.83 THRB (0.39) MMP1MMP13CCR1CTSBCTSS
SCHEMBL2791631 0.81 MMP1 (0.37) MMP1MMP13CCR1CTSBCTSS
SCHEMBL5914490 0.81 JAK2 (0.43) MMP1MMP13CTSBCTSSCTSK

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-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed