SCHEMBL7955182

SCHEMBL7955182

CC(C)C[C@@H](C(=O)NN1C(=O)NC2(CCN(C(=O)OCc3ccccc3)CC2)C1=O)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.36
CTSK P43235 6/20 0.35
CTSL P07711 5/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 3/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL7836618 0.93 MMP1 (0.36) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL7849143 0.90 HDAC1 (0.41) SCN5ASCN9AHDAC3HDAC1HDAC2
SCHEMBL7838763 0.90 MMP3 (0.36) MEN1KMT2AMAPTPOLBNPSR1
SCHEMBL7838759 0.90 MMP3 (0.36) MEN1KMT2AMAPTPOLBNPSR1
SCHEMBL7850472 0.88 MMP3 (0.37) MEN1KMT2AMAPTPOLBNPSR1
SCHEMBL7838766 0.88 MMP3 (0.37) MEN1KMT2AMAPTPOLBNPSR1
SCHEMBL7955756 0.87 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1CTSK
SCHEMBL7955753 0.87 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1CTSK
SCHEMBL7848201 0.85 L3MBTL1 (0.36) MEN1KMT2AALDH1A1POLBSCN5A
SCHEMBL7955667 0.85 MMP1 (0.40) MEN1KMT2AALDH1A1POLBMMP1

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-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed