SCHEMBL29569082

SCHEMBL29569082

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
NMT1 P30419 5/20 0.43
NMT2 O60551 4/20 0.43
TERT O14746 1/20 0.43
MMP2 P08253 1/20 0.41
GSR P00390 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
GLO1 Q04760 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL29569500 1.00 PTGS1 (0.43) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29569342 1.00 PTGS1 (0.43) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL31665964 0.95 NMT1 (0.50) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29569320 0.95 GSR (0.46) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29568716 0.95 GSR (0.46) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29569009 0.95 GSR (0.46) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29569055 0.95 GSR (0.46) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29568828 0.93 GSR (0.45) PTGS1GSTK1NMT1NMT2MMP2
SCHEMBL29397470 0.93 GSR (0.47) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29569319 0.93 DPP7 (0.50) NMT1NMT2DPP8DPP9DPP7

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 EP disclosed