SCHEMBL6947295

SCHEMBL6947295

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.50
HDAC8 Q9BY41 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 2/20 0.39
FOLH1 Q04609 1/20 0.37
MMP2 P08253 1/20 0.36

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
SCHEMBL7738798 0.84 BLM (0.52) BLMLMNAHDAC8HDAC3HDAC4
SCHEMBL10290507 0.82 BLM (0.48) BLMLMNAHDAC8HDAC3HDAC4
SCHEMBL21008657 0.82 HDAC3 (0.50) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL10630172 0.81 BLM (0.48) BLMLMNAHDAC8HDAC3HDAC4
SCHEMBL12377272 0.80 BLM (0.47) BLMLMNAHDAC8HDAC3HDAC4
SCHEMBL10266718 0.80 BLM (0.47) BLMLMNAHDAC8HDAC3HDAC4
SCHEMBL62131 0.78 BLM (0.46) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL10602150 0.78 BLM (0.50) BLMLMNAHDAC8HDAC3HDAC4
Phytanic Acid SCHEMBL3819827 0.77 BLM (0.63) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL12713322 0.77 BLM (0.57) BLMLMNAMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138181-A1 Phytanic acid derivative compositions and method of treating and/or preventing diabetes mellitus ROCHE VITAMINS INC. 2004-07-15 US claimed
US-20020082298-A1 Phytanic acid derivative compositions and method of treating and/or preventing diabetes mellitus F. HOFFMANN-LA ROCHE AG 2002-06-27 US claimed
EP-1177789-A2 Use of phytanic acid for the treatment of diabetes Roche Vitamins AG (CH) 2002-02-06 EP claimed