SCHEMBL6886676

SCHEMBL6886676

CCOC(=O)/C=C/C=C(/CC)c1cc(O)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
FDPS P14324 1/20 0.44
AKR1B10 O60218 6/20 0.42
AKR1B1 P15121 6/20 0.42
NR1H4 Q96RI1 1/20 0.42
BACE1 P56817 2/20 0.41
APP P05067 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CHRNA7 P36544 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 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
SCHEMBL6886681 1.00 MAOB (0.49) MAOBCA12CA1CA2CA7
SCHEMBL6156379 0.86 NR1H4 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6156382 0.86 NR1H4 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6884147 0.83 FDPS (0.43) MAOBFDPSBACE1ALDH1A1MAPT
SCHEMBL6884145 0.83 FDPS (0.43) MAOBFDPSBACE1ALDH1A1MAPT
SCHEMBL6155464 0.76 VDR (0.40) MAOBNR1H4BACE1APPCHRNA7
SCHEMBL6155472 0.76 VDR (0.40) MAOBNR1H4BACE1APPCHRNA7
SCHEMBL6155469 0.76 VDR (0.40) MAOBNR1H4BACE1APPCHRNA7
SCHEMBL1434800 0.74 CA12 (0.49) MAOBCA12CA1CA2CA7
SCHEMBL14143629 0.74 BACE1 (0.69) MAOBCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed