SCHEMBL8893928

SCHEMBL8893928

CC(O)CCC[C@H](C)[C@@H](C(=O)CC(O)C(=O)O)N(C)C(=O)[C@H]([C@@H](C)CCCC(C)O)N(C)C(=O)[C@H](C)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
CTSK P43235 5/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 4/20 0.35
SLC15A1 P46059 1/20 0.33
LTA4H P09960 1/20 0.33
FOLH1 Q04609 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL8707727 0.92 ABCB1 (0.41) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8892974 0.90 ABCB1 (0.37) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8893116 0.85 MEN1 (0.36) LTA4HLMNAALDH1A1POLBHSD17B10
SCHEMBL8714486 0.83 ABCB1 (0.38) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8893949 0.83 ABCB1 (0.38) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8893427 0.82 MEN1 (0.37) LTA4HLMNAALDH1A1POLBHSD17B10
SCHEMBL8708607 0.81 ABCB1 (0.37) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL9068144 0.81 ABCB1 (0.37) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8895363 0.80 ABCB1 (0.52) ABCB1CTSKCTSLCTSBCTSS
SCHEMBL8895729 0.78 L3MBTL1 (0.34) LTA4HLMNAALDH1A1POLBHSD17B10

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed