SCHEMBL8736407

SCHEMBL8736407

CCC(C)CCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
LTA4H P09960 2/20 0.53
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HTR1B P28222 2/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46

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
SCHEMBL22692744 0.94 KCNA3 (0.56) KCNA3LTA4HTDP1HDAC3HDAC4
SCHEMBL11583149 0.89 KCNA3 (0.52) KCNA3LTA4HTDP1HTR1BCHRNB2
SCHEMBL9812236 0.86 RAB9A (0.54) HDAC6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9812241 0.86 RAB9A (0.54) HDAC6CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6547805 0.86 LTA4H (0.64) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL28592582 0.86 LTA4H (0.64) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL28601360 0.86 KCNA3 (0.55) KCNA3LTA4HTDP1HDAC3HDAC4
SCHEMBL28597217 0.86 LTA4H (0.64) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL28599930 0.86 LTA4H (0.59) KCNA3LTA4HTDP1HDAC3HDAC4
SCHEMBL28590811 0.86 LTA4H (0.59) KCNA3LTA4HTDP1HDAC3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP claimed
EP-0697387-A2 Improved method for the preparation of iodonium salts DOW CORNING CORPORATION (US) 1996-02-21 EP claimed
US-5426222-A Mixing iodoarene dicarboxylate, solvent, adding acid to form homogeneous reaction mixture, reacting with benzene or substituted benzene, stripping solvent DOW CORNING CORPORATION (US) 1995-06-20 US claimed
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed
EP-0697387-A2 Improved method for the preparation of iodonium salts DOW CORNING CORPORATION (US) 1996-02-21 EP disclosed
US-5426222-A Mixing iodoarene dicarboxylate, solvent, adding acid to form homogeneous reaction mixture, reacting with benzene or substituted benzene, stripping solvent DOW CORNING CORPORATION (US) 1995-06-20 US disclosed