SCHEMBL7762013

SCHEMBL7762013

CC(C)C[C@@H](C(=O)O)C(CCCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAU P00749 1/20 0.43
NTSR1 P30989 1/20 0.43
SYK P43405 1/20 0.42
CTSK P43235 2/20 0.42
KCNA5 P22460 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7762011 1.00 POLB (0.46) POLBGPR55MAPTNPSR1KDM4E
SCHEMBL7762867 0.90 KCNA5 (0.47) POLBGPR55MAPTSYKCTSK
SCHEMBL7762862 0.90 KCNA5 (0.47) POLBGPR55MAPTSYKCTSK
SCHEMBL7762825 0.89 SMN1; SMN2 (0.43) POLBMAPTNPSR1KDM4ETDP1
SCHEMBL7762821 0.89 SMN1; SMN2 (0.43) POLBMAPTNPSR1KDM4ETDP1
SCHEMBL7759196 0.88 POLB (0.49) POLBGPR55MAPTNPSR1KDM4E
SCHEMBL7759200 0.88 POLB (0.49) POLBGPR55MAPTNPSR1KDM4E
SCHEMBL7764156 0.88 PLAU (0.43) POLBGPR55MAPTTDP1PLAU
SCHEMBL7764157 0.88 PLAU (0.43) POLBGPR55MAPTTDP1PLAU
SCHEMBL5679927 0.87 MAPT (0.52) MAPTSYKCTSKMEN1KMT2A

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
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed