SCHEMBL29176010

SCHEMBL29176010

CCCCCCCCCCCCCN(C)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 6/20 0.44
FFAR1 O14842 2/20 0.44
DNM1 Q05193 3/20 0.43
PPARD Q03181 5/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
GGPS1 O95749 3/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
TSHR P16473 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL6811800 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL11442609 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL2175916 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL7497648 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL7500724 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL5495146 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL5495147 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL7500730 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL2175914 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
Iodide SCHEMBL18221949 0.98 ACE2 (0.43) ACE2GPR84FFAR1DNM1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117752605-A Prescription combination of novel amphiphilic astaxanthin nanoemulsion and preparation method thereof 李小兰 2024-03-26 CN claimed
CN-117752605-A Prescription combination of novel amphiphilic astaxanthin nanoemulsion and preparation method thereof 李小兰 2024-03-26 CN disclosed