SCHEMBL31540102

SCHEMBL31540102

N[C@@H](CCC(=O)O)C(=O)N1CC(O)C[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.66
DPP8 Q6V1X1 7/20 0.66
DPP9 Q86TI2 7/20 0.66
ATM Q13315 1/20 0.50
FAP Q12884 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 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
SCHEMBL29396034 1.00 DPP4 (0.66) DPP4DPP8DPP9ATMFAP
SCHEMBL28821947 1.00 DPP4 (0.66) DPP4DPP8DPP9ATMFAP
SCHEMBL31371788 0.91 DPP4 (0.67) DPP4DPP8DPP9ATMFAP
SCHEMBL4430344 0.90 DPP4 (0.53) DPP4DPP8DPP9ATMFAP
SCHEMBL4430341 0.90 DPP4 (0.53) DPP4DPP8DPP9ATMFAP
SCHEMBL4432639 0.86 ATM (0.51) DPP4DPP8DPP9ATMFAP
SCHEMBL34461081 0.86 ATM (0.51) DPP4DPP8DPP9ATMFAP
SCHEMBL4432650 0.86 ATM (0.51) DPP4DPP8DPP9ATMFAP
SCHEMBL29963123 0.85 ACE (0.53) DPP4DPP8DPP9ATMFAP
SCHEMBL4435208 0.84 ATM (0.53) DPP4DPP8DPP9ATMFAP

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-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO claimed
WO-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO disclosed