SCHEMBL7955756

SCHEMBL7955756

CC(C)C[C@@H](C(=O)NN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 3/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
REN P00797 1/20 0.34
GAA P10253 3/20 0.34
FKBP1A P62942 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SSTR2 P30874 1/20 0.33
CTSK P43235 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
SCHEMBL7955753 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTUSP2
SCHEMBL7838763 0.90 MMP3 (0.36) KMT2AMEN1MAPTMMP1MMP3
SCHEMBL7838759 0.90 MMP3 (0.36) KMT2AMEN1MAPTMMP1MMP3
SCHEMBL7836618 0.89 MMP1 (0.36) KMT2AMEN1MAPTMMP1MMP3
SCHEMBL7946538 0.89 MMP1 (0.41) ALDH1A1KMT2AMEN1MAPTUSP2
SCHEMBL7946539 0.89 MMP1 (0.41) ALDH1A1KMT2AMEN1MAPTUSP2
SCHEMBL7850472 0.88 MMP3 (0.37) KMT2AMEN1MAPTMMP1MMP3
SCHEMBL7838766 0.88 MMP3 (0.37) KMT2AMEN1MAPTMMP1MMP3
SCHEMBL7955182 0.87 MEN1 (0.39) ALDH1A1KMT2AMEN1MAPTMMP1
SCHEMBL7856205 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTCYP2D6

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