SCHEMBL5869900

SCHEMBL5869900

CC(C)CC(NC(C(=O)O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.47
NTSR1 P30989 1/20 0.45
MMP9 P14780 6/20 0.45
MMP1 P03956 5/20 0.45
MMP3 P08254 3/20 0.44
UGT2B7 P16662 1/20 0.44
LARS1 Q9P2J5 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL8248701 1.00 FOLH1 (0.47) FOLH1NTSR1MMP9MMP1MMP3
SCHEMBL5138638 0.86 MAPT (0.41) FOLH1NTSR1MMP9MMP1MMP3
SCHEMBL5869744 0.84 FOLH1 (0.55) FOLH1MMP9MMP1MMP3GRN
SCHEMBL8255247 0.84 FOLH1 (0.55) FOLH1MMP9MMP1MMP3GRN
SCHEMBL8248672 0.84 FOLH1 (0.55) FOLH1MMP9MMP1MMP3GRN
SCHEMBL8249122 0.84 FOLH1 (0.55) FOLH1MMP9MMP1MMP3GRN
SCHEMBL5139244 0.81 MMP9 (0.42) NTSR1MMP9MMP1MMP3UGT2B7
SCHEMBL12861495 0.81 CTSS (0.53) FOLH1
SCHEMBL17995301 0.79 UGT2B7 (0.50) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL8254158 0.78 MME (0.58) FOLH1MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed