SCHEMBL7230157

SCHEMBL7230157

CCCCCNc1cc(C(=O)OC)ccc1N1C(=O)CCC1(CO)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.40
▸ KDM4E B2RXH2 8/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ GLA P06280 2/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL7231042 0.99 MGLL (0.41) MGLLKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7229971 0.90 HCAR3 (0.45) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7232819 0.89 HCAR3 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7240516 0.89 HCAR3 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7230456 0.83 HCAR3 (0.42) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL7231715 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7230151 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7231034 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7230965 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL7241764 0.78 ALDH1A1 (0.44) MGLLKDM4EALDH1A1HPGDL3MBTL1

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-6509359-B1 Use as a neuramninidase inhibitor in virus BIOCRYST PHARMACEUTICALS, INC. 2003-01-21 — — US disclosed
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