SCHEMBL7693154

SCHEMBL7693154

C=C(C)C(=O)OCCOc1ccc(/C=C/C(=O)OCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.51
ABCG2 Q9UNQ0 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45

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
SCHEMBL7693157 1.00 APP (0.51) APPABCG2NPC1RAB9ATDP1
SCHEMBL7688949 0.91 CA12 (0.55) ABCG2NPC1RAB9ATDP1POLB
SCHEMBL7688953 0.91 CA12 (0.55) ABCG2NPC1RAB9ATDP1POLB
SCHEMBL13481052 0.91 TDP1 (0.48) APPABCG2NPC1RAB9ATDP1
SCHEMBL13481059 0.91 TDP1 (0.48) APPABCG2TDP1POLBAPEX1
SCHEMBL14926800 0.91 TDP1 (0.54) APPABCG2TDP1POLBAPEX1
SCHEMBL25634616 0.91 TDP1 (0.54) APPABCG2TDP1POLBAPEX1
SCHEMBL8150936 0.90 NPC1 (0.50) ABCG2NPC1RAB9ATDP1HTT
SCHEMBL12516446 0.88 POLB (0.57) APPABCG2TDP1POLBAPEX1
SCHEMBL2224525 0.88 POLB (0.57) APPABCG2TDP1POLBAPEX1

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
US-6335409-B1 LIQUID CRYSTAL ORIENTATION ROLIC AG (CH) 2002-01-01 US disclosed
EP-0763552-B1 Curable, photoactive polymeric materials ROLIC AG (CH) 2001-09-19 EP disclosed
US-6107427-A Cross-linkable, photoactive polymer materials ROLIC AG (CH) 2000-08-22 US disclosed
EP-0763552-A2 Curable, photoactive polymeric materials Rolic AG (CH) 1997-03-19 EP disclosed