SCHEMBL28663249

SCHEMBL28663249

COC(=O)[C@H](CCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.45
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PAX8 Q06710 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
SIRT5 Q9NXA8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL28644672 0.92 ALDH1A1 (0.46) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL28644673 0.92 ALDH1A1 (0.46) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL13430794 0.82 SIRT2 (0.52) MAPTCA1CA2CTSKKLK7
SCHEMBL16504797 0.80 CTSS (0.45) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL16504753 0.80 CTSS (0.45) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL16504471 0.80 CTSS (0.45) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL16504470 0.80 CTSS (0.45) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL16504752 0.80 CTSS (0.45) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL20705098 0.78 MAOA (0.40) NPSR1MAPTTDP1MEN1KMT2A
SCHEMBL21372526 0.78 MEN1 (0.46) NPSR1TDP1MEN1KMT2APOLB

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-108794572-B Total synthesis method of natural product Lucentamycin A 上海交通大学 2021-10-15 CN disclosed