SCHEMBL6563956

SCHEMBL6563956

CC/C(=C\CCC(O)(CC)CC)c1cc(COc2ccc(C(=O)O)c(C(=O)O)c2)cs1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.35
ALDH1A1 P00352 1/20 0.32
MAOA P21397 8/20 0.32
APP P05067 1/20 0.32
MCL1 Q07820 1/20 0.31
PYGL P06737 1/20 0.31
PYGM P11217 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6563960 1.00 MAOB (0.35) MAOBALDH1A1MAOAAPPMCL1
SCHEMBL6562982 0.90 MAOB (0.35) MAOBALDH1A1MAOALTB4RLTB4R2
SCHEMBL6562992 0.90 MAOB (0.35) MAOBALDH1A1MAOALTB4RLTB4R2
SCHEMBL6888099 0.89 ALOX5AP (0.35) MAOBMAOAAPPMAPT
SCHEMBL6888103 0.89 ALOX5AP (0.35) MAOBMAOAAPPMAPT
SCHEMBL6564880 0.87 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6564886 0.87 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6566522 0.83 VDR (0.43)
SCHEMBL6566530 0.83 VDR (0.43)
SCHEMBL6566517 0.83 VDR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed