SCHEMBL7688953

SCHEMBL7688953

C=C(C)C(=O)OCCOc1ccc(C=CC(=O)OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA2 P00918 1/20 0.55
FDPS P14324 1/20 0.51
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
HTT P42858 2/20 0.48
APEX1 P27695 1/20 0.48
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.48
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43

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
SCHEMBL7688949 1.00 CA12 (0.55) CA12CA1CA7CA9CA14
SCHEMBL9952390 0.93 POLB (0.58) CA12CA1CA7CA9CA14
SCHEMBL9952394 0.93 POLB (0.58) CA12CA1CA7CA9CA14
SCHEMBL7693154 0.91 APP (0.51) CA12CA1CA7CA9CA14
SCHEMBL7693157 0.91 APP (0.51) CA12CA1CA7CA9CA14
SCHEMBL8150936 0.91 NPC1 (0.50) CA12CA1CA7CA9CA14
SCHEMBL13481052 0.90 TDP1 (0.48) CA12CA1CA7CA9CA14
SCHEMBL13481059 0.90 TDP1 (0.48) CA12CA1CA7CA9CA14
SCHEMBL6394152 0.89 TDP1 (0.49) CA12CA1CA7CA9CA14
SCHEMBL6394150 0.89 TDP1 (0.49) CA12CA1CA7CA9CA14

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