SCHEMBL7777862

SCHEMBL7777862

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL850537 1.00 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL849829 1.00 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL1629287 0.98 CA2 (0.50) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL3960168 0.93 CA2 (0.44) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL12524250 0.87 CA2 (0.40) CA2GPR84FFAR1LMNAMAPK1
SCHEMBL20840951 0.86 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL2638231 0.86 GPR84 (0.42) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL16389959 0.85 CA2 (0.52) CA2MAPTSLC1A2SLC1A1MAPK1
SCHEMBL13003584 0.85 CA2 (0.50) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL11473599 0.84 CHRM1 (0.44) CA2GRIK1GRIK2SLC1A2SLC1A1

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-0679385-B1 Hair revitalizing composition SHISEIDO CO LTD (JP) 2001-09-05 EP disclosed
US-5720946-A SYNERGISTIC EFFECT; DANDRUFF; PREVENTION ITCHING SHISEIDO COMPANY, LTD. (JP) 1998-02-24 US disclosed
EP-0679385-A2 Hair revitalizing composition SHISEIDO COMPANY LIMITED (JP) 1995-11-02 EP disclosed