SCHEMBL8766612

SCHEMBL8766612

NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.49
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ GSTK1 Q9Y2Q3 1/20 0.44
▸ MMP2 P08253 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ GSR P00390 1/20 0.39
▸ CD40 P25942 2/20 0.38
▸ TLR2 O60603 2/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36

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
SCHEMBL30957279 0.89 PTGS1 (0.50) TERTGNAI3GNAO1GNAI1PTGS1
SCHEMBL30741643 0.88 NMT1 (0.44) TERTPTGS1GSTK1TLR2
SCHEMBL31678957 0.88 TERT (0.50) TERTGNAI3GNAO1GNAI1MMP2
SCHEMBL31754320 0.86 TLR2 (0.43) TERTPTGS1GSTK1TLR2NOD1
SCHEMBL15349361 0.86 DPP8 (0.48) GNAI3GNAO1GNAI1MMP2DPP8
SCHEMBL21153033 0.84 PTGS1 (0.48) TERTPTGS1GSTK1MMP2NOD1
SCHEMBL30062007 0.83 PTGS1 (0.44) TERTGNAI3GNAO1GNAI1PTGS1
SCHEMBL2887196 0.82 TERT (0.52) TERTGNAI3GNAO1GNAI1MMP2
SCHEMBL2887200 0.82 TERT (0.52) TERTGNAI3GNAO1GNAI1MMP2
SCHEMBL30398536 0.82 QRFPR (0.42) TLR2

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
EP-0788377-A2 RADIOLABELLED GLUCANS Diatide, Inc. (US) 1997-08-13 — — EP disclosed
WO-1995003836-A2 RADIOLABELLED GLUCANS DIATECH, INC. (US) 1995-02-09 — — WO disclosed
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