SCHEMBL29814780

SCHEMBL29814780

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.59
PTGS1 P23219 1/20 0.51
GSTK1 Q9Y2Q3 1/20 0.51
RIMKLA Q8IXN7 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
ENPEP Q07075 6/20 0.47
ANPEP P15144 3/20 0.47
BMP1 P13497 1/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GSR P00390 1/20 0.46
CYP1A2 P05177 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46

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
SCHEMBL7461950 0.98 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL6810241 0.98 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL6810234 0.98 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL7461963 0.98 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL9760353 0.95 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL30382437 0.95 FOLH1 (0.61) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL6809803 0.94 FOLH1 (0.54) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL6809811 0.94 FOLH1 (0.54) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL27611010 0.94 FOLH1 (0.58) FOLH1PTGS1GSTK1RIMKLANAALAD2
SCHEMBL16770243 0.94 FOLH1 (0.58) FOLH1PTGS1GSTK1RIMKLANAALAD2

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
WO-2023004364-A2 SELF-ASSEMBLING NANOMATERIAL FOR THE DETECTION, IMAGING, OR TREATMENT OF CANCER OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 WO disclosed
EP-4058579-A1 METHOD OF DETECTION OF FIBRIN CLOTS I-ZUM-X Pty Ltd. (AU) 2022-09-21 EP disclosed