SCHEMBL4716771

SCHEMBL4716771

CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.35
CDC25B P30305 1/20 0.35
MAPT P10636 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL2816326 1.00 BLM (0.50) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL10654543 0.87 BLM (0.39) BLMFFAR1CPT2TDP1CYP2D6
SCHEMBL6236490 0.85 CYP2D6 (0.39) BLMFFAR1CPT2TDP1CYP2D6
SCHEMBL7710974 0.84 FFAR1 (0.41) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9956243 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9955921 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9955405 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9956582 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9954618 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1
SCHEMBL9956007 0.82 FFAR1 (0.44) BLMLMNAFFAR1CPT2TDP1

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
EP-2004159-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS Biovitrum AB (publ) (SE) 2008-12-24 EP disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 WO disclosed