SCHEMBL7960494

SCHEMBL7960494

CC(C)CC(C(=O)NN1C(=O)NC(C(C)C)C1=O)[C@@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 2/20 0.40
REN P00797 1/20 0.36
MMP13 P45452 1/20 0.35
NAAA Q02083 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
FAAH O00519 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7960499 1.00 MMP1 (0.40) MMP1MMP3MMP9RENMMP13
SCHEMBL7960498 1.00 MMP1 (0.40) MMP1MMP3MMP9RENMMP13
SCHEMBL7957317 0.87 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7837906 0.87 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7838493 0.87 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7838489 0.87 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7838068 0.84 MMP1 (0.40) MMP1MMP3MMP9MMP13FAAH
SCHEMBL7955158 0.84 MMP1 (0.40) MMP1MMP3MMP9MMP13FAAH
SCHEMBL7955153 0.84 MMP1 (0.40) MMP1MMP3MMP9MMP13FAAH
SCHEMBL7960576 0.83 KDM4E (0.36) PLA2G10PLA2G5POLBMAPTNPSR1

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