SCHEMBL9849654

SCHEMBL9849654

CCCCCCCCCCCCCCCCC(C)C(=O)NC(CO)(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ACE2 Q9BYF1 1/20 0.43
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
CCR2 P41597 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
FAAH O00519 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
CNR1 P21554 3/20 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
SCHEMBL9849918 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL21356691 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL9849936 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL8533137 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL21356687 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL9453257 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL21356685 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL21356694 0.84 HRH3 (0.47) CA1HRH3FFAR1GPR84
SCHEMBL21452007 0.82 CA1 (0.50) CA1ACE2CCR2FFAR1FFAR4
SCHEMBL4697030 0.80 CA1 (0.52) CA1ACE2CCR2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450527-A2 N-Tris(hydroxymethyl)methylfatty acid amides and cosmetic compositions containing same KAO CORPORATION (JP) 1991-10-09 EP disclosed