SCHEMBL17265696

SCHEMBL17265696

Nc1ccc(OCCCCCCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.61
ALB P02768 1/20 0.57
PLA2G4B P0C869 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
FFAR1 O14842 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
LTB4R Q15722 1/20 0.51
CYP4F2 P78329 4/20 0.49
CYP4A11 Q02928 4/20 0.49
SERPINE1 P05121 1/20 0.49

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
SCHEMBL839412 1.00 PPARA (0.61) PPARAALBPLA2G4BL3MBTL1HDAC1
Hydrochloric Acid SCHEMBL830247 0.98 PPARA (0.59) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL16245586 0.98 PPARA (0.63) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL12099337 0.93 PPARA (0.56) PPARAALBPLA2G4BL3MBTL1FFAR1
SCHEMBL31448424 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL21073528 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL29141429 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL31448470 0.89 PPARA (0.73) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL2198008 0.87 L3MBTL1 (0.67) PPARAL3MBTL1FFAR1
Hydrochloric Acid SCHEMBL25375206 0.85 L3MBTL1 (0.65) PPARAL3MBTL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed