SCHEMBL31672246

SCHEMBL31672246

NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ SLC15A1 P46059 1/20 0.54
▸ PTPN1 P18031 1/20 0.51
▸ CTSC P53634 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ KISS1R Q969F8 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ FCER2 P06734 1/20 0.50

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
SCHEMBL29892222 0.91 NAALAD2 (0.67) LTA4HNAALAD2SLC15A1BACE1
SCHEMBL30688832 0.91 NAALAD2 (0.67) LTA4HNAALAD2SLC15A1BACE1
SCHEMBL31672251 0.91 NAALAD2 (0.55) LTA4HNAALAD2SLC15A1BACE1MMP1
SCHEMBL22644556 0.90 LTA4H (0.52) LTA4HNAALAD2SLC15A1CTSC
SCHEMBL6237394 0.90 NAALAD2 (0.64) LTA4HNAALAD2SLC15A1CTSCBACE1
SCHEMBL27652943 0.90 NAALAD2 (0.64) LTA4HNAALAD2SLC15A1CTSCBACE1
SCHEMBL22649189 0.89 CTSC (0.60) CTSCMMP1FCER2
SCHEMBL22925587 0.89 CTSC (0.60) CTSCMMP1FCER2
SCHEMBL29372257 0.89 CTSC (0.60) CTSCMMP1FCER2
SCHEMBL10049933 0.89 CTSC (0.60) CTSCMMP1FCER2

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
US-12383628-B2 Hydrogel-forming composition for controlled release VRIJE UNIVERSITEIT BRUSSEL (BE) 2025-08-12 — — US disclosed
Send feedback