SCHEMBL7827367

SCHEMBL7827367

CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(C(=O)OC(c2ccccc2)c2ccccc2)O[C@H]1C(O)C(O)CO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 6/20 0.48
NEU3 Q9UQ49 5/20 0.48
NEU1 Q99519 4/20 0.48
NEU4 Q8WWR8 3/20 0.48
LMNA P02545 1/20 0.44

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
SCHEMBL7827370 1.00 NEU2 (0.48) NEU2NEU3NEU1NEU4LMNA
SCHEMBL7829023 0.91 NEU2 (0.43) NEU2NEU3NEU1NEU4LMNA
SCHEMBL7829019 0.91 NEU2 (0.43) NEU2NEU3NEU1NEU4LMNA
SCHEMBL6328640 0.91 NEU2 (0.43) NEU2NEU3NEU1NEU4LMNA
SCHEMBL23069647 0.86 NEU2 (0.53) NEU2NEU3NEU1NEU4LMNA
SCHEMBL7824697 0.84 NFKB1 (0.34) NEU2LMNA
SCHEMBL14548276 0.83 NEU2 (0.69) NEU2NEU3NEU1NEU4LMNA
SCHEMBL7827371 0.80 NEU2 (0.34) NEU2NEU3LMNA
SCHEMBL14526696 0.80 NEU2 (0.35) NEU2NEU3NEU1NEU4LMNA
SCHEMBL7827514 0.80 CTSK (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833825-B1 6-CARBOXAMIDO DIHYDROPYRAN DERIVATIVES BIOTA SCIENT MANAGEMENT (AU) 2001-09-26 EP disclosed
US-5990156-A 6-Carboxamido dihydropyran derivatives BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 1999-11-23 US disclosed
EP-0833825-A4 6-CARBOXAMIDO DIHYDROPYRAN DERIVATIVES BIOTA SCIENT MANAGEMENT (AU) 1998-10-07 EP disclosed
EP-0833825-A1 6-CARBOXAMIDO DIHYDROPYRAN DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1998-04-08 EP disclosed
WO-1996036628-A1 6-CARBOXAMIDO DIHYDROPYRAN DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1996-11-21 WO disclosed