SCHEMBL8848397

SCHEMBL8848397

CC(CCCCC(C)(CCCCC(C)C(=O)O)CCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
BLM P54132 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
TBXAS1 P24557 2/20 0.40
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL17431017 0.87 LTA4H (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL31444733 0.85 ACE2 (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL13062920 0.85 ACE2 (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL3259070 0.83 ACACB (0.69) LTA4HBLMACE2ACACBACACA
SCHEMBL16330413 0.83 BLM (0.65) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL7179523 0.83 BLM (0.65) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL20825612 0.82 BLM (0.54) LTA4HBLMACE2ACACBACACA
SCHEMBL9001608 0.81 ACE2 (0.64) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL20612872 0.81 ACE2 (0.64) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL5977939 0.81 ACE2 (0.64) LTA4HBLMACE2GABRR1CYP1A2

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
US-5621144-A Fluorinated compounds as oxygen transport agents ISIS INNOVATION LIMITED (GB) 1997-04-15 US disclosed
WO-1993011098-A1 FLUORINATED COMPOUNDS AS OXYGEN TRANSPORT AGENTS ISIS INNOVATION LIMITED (GB) 1993-06-10 WO disclosed