SCHEMBL7690738

SCHEMBL7690738

C=CCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
MAOB P27338 2/20 0.43
HPGD P15428 1/20 0.43
FDPS P14324 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7690737 1.00 MAPT (0.61) MAPTKDM4EALDH1A1L3MBTL1CA12
SCHEMBL17885979 0.87 MAPT (0.65) MAPTKDM4EKMT2ALMNANPC1
SCHEMBL8410290 0.86 FDPS (0.58) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL8410287 0.86 FDPS (0.58) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL16133525 0.85 MAPT (0.58) MAPTKDM4ECA12CA1CA2
SCHEMBL21190009 0.85 MAPT (0.62) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL28981013 0.84 MAPT (0.57) MAPTKDM4ECA12CA1CA2
SCHEMBL16133524 0.84 MAPT (0.57) MAPTKDM4ECA12CA1CA2
SCHEMBL16133523 0.84 MAPT (0.57) MAPTKDM4ECA12CA1CA2
SCHEMBL18288746 0.84 MAPT (0.71) MAPTKDM4EALDH1A1CA12CA1

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
US-6335409-B1 LIQUID CRYSTAL ORIENTATION ROLIC AG (CH) 2002-01-01 US disclosed
US-6107427-A Cross-linkable, photoactive polymer materials ROLIC AG (CH) 2000-08-22 US disclosed