SCHEMBL7824697

SCHEMBL7824697

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)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NEU2 Q9Y3R4 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7828982 0.89 MAPT (0.30) MAPT
SCHEMBL7828985 0.89 MAPT (0.30) MAPT
SCHEMBL7831548 0.88 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL7827514 0.88 CTSK (0.34) CTSK
SCHEMBL7827619 0.86
SCHEMBL7827621 0.86
SCHEMBL7827511 0.86
SCHEMBL7837385 0.86
SCHEMBL7827371 0.85 NEU2 (0.34) MAPTCTSSCTSKKDM4EALDH1A1
SCHEMBL7827367 0.84 NEU2 (0.48) LMNANEU2

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