SCHEMBL7691707

SCHEMBL7691707

C=C(C)C(=O)OCCCCCCOc1ccc(-c2ccc(C=CC(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44

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
SCHEMBL7691704 1.00 TDP1 (0.56) TDP1POLBAPEX1HTTLMNA
SCHEMBL2221785 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952787 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952791 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952834 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL2221782 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952829 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952736 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9952732 0.96 TDP1 (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL9951812 0.95 TDP1 (0.57) TDP1POLBAPEX1HTTLMNA

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