SCHEMBL9007928

SCHEMBL9007928

CCOCCCCCSCCCC(CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
MAPK1 P28482 1/20 0.47
FOLH1 Q04609 2/20 0.37
BHMT Q93088 3/20 0.36
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLA2G4B P0C869 1/20 0.34
CA1 P00915 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 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
SCHEMBL5355106 0.85 CA2 (0.59) CA2MAPK1FOLH1CA1GRIK1
SCHEMBL2354888 0.84 CA2 (0.61) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL3820505 0.76 CA2 (0.54) CA2MAPK1FOLH1THRBCA1
SCHEMBL14567449 0.76 CHRM1 (0.50) CA2MAPK1FOLH1GRIK1GRIK2
SCHEMBL11374133 0.76 CA2 (0.52) CA2MAPK1THRBCA1CHRM1
SCHEMBL25996488 0.76 ALDH1A1 (0.38) POLBMAPTTHRBPLA2G4BTDP1
SCHEMBL8771201 0.76 GRIK1 (0.53) CA2MAPK1MAPTGRIK1GRIK2
SCHEMBL5361363 0.76 CA2 (0.55) CA2MAPK1MAPTCA1GRIK1
SCHEMBL9007929 0.76 TSHR (0.50) BHMTHSD17B10PLA2G4BTDP1
SCHEMBL11068865 0.76 GRIK1 (0.53) CA2MAPK1MAPTGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571689-A Method of N-acylating peptide and proteins with diheteroatom substituted analogs of myristic acid WASHINGTON UNIVERSITY (US) 1996-11-05 US disclosed
EP-0441765-B1 Novel fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1994-05-11 EP disclosed
US-5082967-A Myristolyation WASHINGTON UNIVERSITY (US) 1992-01-21 US disclosed
EP-0441765-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1991-08-14 EP disclosed