SCHEMBL7762867

SCHEMBL7762867

CC(C)C[C@@H](C(=O)O)C(CCCc1ccccc1CNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.47
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.42
CTSK P43235 3/20 0.41
POLB P06746 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7762862 1.00 KCNA5 (0.47) KCNA5MAPTSYKCTSKPOLB
SCHEMBL7762011 0.90 POLB (0.46) KCNA5MAPTSYKCTSKPOLB
SCHEMBL7762013 0.90 POLB (0.46) KCNA5MAPTSYKCTSKPOLB
SCHEMBL7765823 0.89 KCNA5 (0.50) KCNA5SYKCTSKPOLBGPR55
SCHEMBL7765812 0.89 KCNA5 (0.50) KCNA5SYKCTSKPOLBGPR55
SCHEMBL5679927 0.86 MAPT (0.52) MAPTSYKCTSK
SCHEMBL7762825 0.82 SMN1; SMN2 (0.43) MAPTSYKCTSKPOLB
SCHEMBL7762821 0.82 SMN1; SMN2 (0.43) MAPTSYKCTSKPOLB
SCHEMBL6943287 0.82 MMP3 (0.45) MAPTCTSKPOLB
SCHEMBL6659518 0.82 MMP3 (0.45) MAPTCTSKPOLB

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