SCHEMBL15840402

SCHEMBL15840402

CNCC(=O)N[C@H](C(=O)NCC(N)=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.35
CTSK P43235 1/20 0.35
MMP1 P03956 16/20 0.35
MMP3 P08254 14/20 0.35
MMP2 P08253 12/20 0.35
MMP9 P14780 8/20 0.35
MMP8 P22894 5/20 0.35
MMP13 P45452 3/20 0.35
ADAM17 P78536 3/20 0.35
MMP14 P50281 2/20 0.35
MMP7 P09237 6/20 0.33
MMP20 O60882 1/20 0.32
ADAMTS4 O75173 1/20 0.32
TNF P01375 1/20 0.32
MMP10 P09238 1/20 0.32
MMP12 P39900 1/20 0.32
MMP15 P51511 1/20 0.32
MMP16 P51512 1/20 0.32
MMP25 Q9NPA2 1/20 0.32
MMP26 Q9NRE1 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
SCHEMBL8907474 0.83 CNR2 (0.36) MMP1MMP3MMP2MMP9MMP8
SCHEMBL1219005 0.81 METAP1 (0.38) METAP1CTSKMMP1MMP3MMP2
SCHEMBL15840471 0.79 KMT2A (0.37) CTSK
SCHEMBL15705303 0.77 CTSK (0.34) CTSKMMP1MMP3MMP2MMP9
SCHEMBL1215890 0.76 MAOA (0.47) METAP1CTSK
SCHEMBL18435221 0.75 MMP1 (0.33) MMP1MMP3MMP2MMP9MMP8
SCHEMBL15840455 0.75 NMT1 (0.36) METAP1
SCHEMBL15839931 0.74 KEAP1 (0.33) METAP1
SCHEMBL17323496 0.74 KEAP1 (0.33) METAP1
SCHEMBL15840416 0.73 BMP1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed