SCHEMBL7745447

SCHEMBL7745447

CCCCCCC(CC)C(=O)O.CCN(CC)CC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.68
MAPK1 P28482 1/20 0.68
GRIK1 P39086 2/20 0.54
GRIK2 Q13002 2/20 0.54
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
GPR84 Q9NQS5 4/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
CA1 P00915 1/20 0.46
SLC1A3 P43003 1/20 0.44
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43

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
2-Ethylhexanoic Acid SCHEMBL5874905 0.92 CA2 (0.80) CA2MAPK1GRIK1GRIK2SLC1A2
Hexane SCHEMBL4788148 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
Hexane SCHEMBL18237384 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL167273 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL10788879 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL249553 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL3003696 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL1704587 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL17329112 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL2492860 0.90 CA2 (0.83) CA2MAPK1GRIK1GRIK2SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934066-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 EP disclosed
EP-0957907-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-6248785-B1 CHEMOKINE SENSITIVE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-06-19 US disclosed
US-6177448-B1 THERAPY FOR CHEMOKINE SENSITIVIE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-01-23 US disclosed
EP-0948330-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0957907-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0948330-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-13 EP disclosed
EP-0934066-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998005317-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed
WO-1998005329-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed