SCHEMBL28130930

SCHEMBL28130930

CC(C)CC(N)C(=O)N(NC(=O)C(N)Cc1ccccc1)C(=O)CN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 2/20 0.46
DNPEP Q9ULA0 2/20 0.46
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CTSC P53634 1/20 0.41
LARS1 Q9P2J5 1/20 0.41
SLC15A1 P46059 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
MME P08473 1/20 0.40

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
SCHEMBL19974077 0.76 ANPEP (0.51) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL28042922 0.75 ANPEP (0.48) LTA4HANPEPRNPEPDNPEPALPI
Dl-Phenylalanine SCHEMBL23152419 0.75 SLC7A5 (0.67) LTA4HANPEPRNPEPDNPEPALPI
Dl-Phenylalanine SCHEMBL3401559 0.75 SLC7A5 (0.67) LTA4HANPEPRNPEPDNPEPALPI
Phenylalanine SCHEMBL892735 0.75 SLC7A5 (0.67) LTA4HANPEPRNPEPDNPEPALPI
Phenylalanine SCHEMBL3401561 0.75 SLC7A5 (0.67) LTA4HANPEPRNPEPDNPEPALPI
Phenylalanine SCHEMBL7542588 0.73 SLC7A5 (0.63) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL22229863 0.73 ANPEP (0.57) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL22229861 0.73 ANPEP (0.57) LTA4HANPEPRNPEPDNPEPALPI
SCHEMBL28518732 0.73 ANPEP (0.53) LTA4HANPEPRNPEPDNPEPALPI

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
CN-106492226-A Tumor-targeting polypeptide anthracycline derivative 武汉大学苏州研究院 2017-03-15 CN disclosed