SCHEMBL6650882

SCHEMBL6650882

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.55
MAPK1 P28482 2/20 0.55
CA1 P00915 4/20 0.48
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 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
SCHEMBL8683293 0.85 CA2 (0.35) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL28061879 0.75 CA2 (0.59) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6130020 0.74 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL30924819 0.73 CA2 (0.57) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL27790033 0.73 CA2 (0.52) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL28034545 0.72 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3014658 0.72 CA2 (0.68) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL3176060 0.72 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.72 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.72 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891540-B1 OXYGEN SENSING MEMBRANES AND METHODS OF MAKING SAME BAYER AG (US) 2004-06-23 EP disclosed
US-6074607-A POLYMER CONTAINING FLUORESCENT DYE BAYER CORPORATION (US) 2000-06-13 US disclosed
US-5863460-A A DISPERSION OF POLYMER AND FLUORESCENT DYE CAPABLE OF HAVING ITS FLUORESCENCE COLLISIONALLY QUENCHED BY A GAS; USING A POLYMER AND DYE HAVING PERMEABILITY AND A RELAXATION TIME, RESPECTIVELY, DEFINED BY A RANGE OF STERN-VOLMER CONSTANTS CHIRON DIAGNOSTICS CORPORATION (US) 1999-01-26 US disclosed
EP-0891540-A1 OXYGEN SENSING MEMBRANES AND METHODS OF MAKING SAME Chiron Diagnostics Corporation (US) 1999-01-20 EP disclosed
WO-1997037210-A1 OXYGEN SENSING MEMBRANES AND METHODS OF MAKING SAME CHIRON DIAGNOSTICS CORPORATION (US) 1997-10-09 WO disclosed