SCHEMBL7420644

SCHEMBL7420644

CC(C)CC(N)C(=O)N(C(=O)OCc1ccccc1)C(C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SLC15A1 P46059 2/20 0.43
CTSK P43235 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.39
CAPN1 P07384 1/20 0.39

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
SCHEMBL7275440 0.89 SLC15A1 (0.47) ANPEPRNPEPDNPEPSLC15A1CTSB
SCHEMBL27809385 0.85 ANPEP (0.48) ANPEPRNPEPDNPEPSLC15A1CTSK
SCHEMBL5065711 0.85 ALDH1A1 (0.50) SLC15A1CTSKCTSLCTSBCTSS
SCHEMBL28518732 0.83 ANPEP (0.53) ANPEPRNPEPDNPEPSLC15A1SLC1A1
SCHEMBL724023 0.82 CTSK (0.44) ANPEPRNPEPDNPEPSLC15A1CTSK
SCHEMBL1014662 0.82 CTSB (0.44) ANPEPRNPEPDNPEPCTSKCTSL
SCHEMBL27715040 0.82 ANPEP (0.40) ANPEPRNPEPDNPEPSLC15A1CTSK
SCHEMBL8111386 0.81 ALDH1A1 (0.47) SLC15A1CTSKSLC1A1SLC1A3ALDH1A1
SCHEMBL27799677 0.81 ANPEP (0.45) ANPEPRNPEPDNPEPSLC15A1CTSK
SCHEMBL27473269 0.81 ANPEP (0.45) ANPEPRNPEPDNPEPSLC15A1CTSK

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed