SCHEMBL13431069

SCHEMBL13431069

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.61
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.52
LTA4H P09960 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
TP53 P04637 1/20 0.41
TBXAS1 P24557 2/20 0.40
GPR84 Q9NQS5 3/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL1879028 0.93 ACE2 (0.55) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL1875958 0.93 ACE2 (0.55) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL17285499 0.89 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL233225 0.89 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL6381204 0.87 GABRR1 (0.59) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL16330413 0.84 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL7179523 0.84 BLM (0.65) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL28488630 0.83 BLM (0.59) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL19814941 0.82 TP53 (0.43) BLMGABRR1CYP1A2TP53GPR84
SCHEMBL276749 0.82 BLM (0.86) BLMGABRR1CYP1A2LTA4HACE2

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
EP-2644588-A2 Biomarkers for diagnosing multiple sclerosis, and methods thereof Phenomenome Discoveries Inc. (CA) 2013-10-02 EP disclosed
US-20100062472-A1 BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF PHENOMENOME DISCOVERIES INC. (CA) 2010-03-11 US disclosed
US-20100062472-A1 BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF PHENOMENOME DISCOVERIES INC. (CA) 2010-03-11 US disclosed