SCHEMBL8613621

SCHEMBL8613621

C=C(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccccc3)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 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
SCHEMBL16982149 0.95 POLB (0.48) POLBAPEX1HTTTDP1RARA
SCHEMBL24555444 0.91 POLB (0.44) POLBAPEX1HTTTDP1RARA
SCHEMBL26044722 0.91 POLB (0.44) POLBAPEX1HTTTDP1RARA
SCHEMBL19824585 0.91 POLB (0.44) POLBAPEX1HTTTDP1RARA
SCHEMBL16559858 0.87 POLB (0.43) POLBAPEX1HTTTDP1RARA
SCHEMBL16559865 0.87 POLB (0.43) POLBAPEX1HTTTDP1RARA
SCHEMBL16559859 0.87 POLB (0.43) POLBAPEX1HTTTDP1RARA
SCHEMBL18960047 0.87 POLB (0.59) POLBAPEX1HTTTDP1HDAC1
SCHEMBL9807301 0.87 POLB (0.59) POLBAPEX1HTTTDP1HDAC1
SCHEMBL19804590 0.86 FEN1 (0.53) POLBAPEX1HTTTDP1FFAR4

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
JP-10036318-A None JP disclosed
JP-H1036318-A TERPHENYL DERIVATIVE AND POLYMER-DISTRIBUTED LIQUID CRYSTAL DISPLAY ELEMENT SEIKO EPSON CORP 1998-02-10 JP disclosed