SCHEMBL28848917

SCHEMBL28848917

CCCCCCCCN(C(=O)O)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE4A P27815 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL28375008 0.82 CES2 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL7088973 0.82 GPR84 (0.39) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL29180350 0.79 GPR84 (0.46) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27803515 0.79 GPR84 (0.46) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28856426 0.78 ZDHHC20 (0.50) TSHRMEN1KMT2AEPHX2DNM1
SCHEMBL31289291 0.78 ZDHHC20 (0.50) TSHRMEN1KMT2AEPHX2DNM1
SCHEMBL5253616 0.76 DNM1 (0.46) PPARATSHRDNM1
SCHEMBL28620949 0.76 DNM1 (0.46) PPARATSHRDNM1
SCHEMBL8211598 0.76 DNM1 (0.46) PPARATSHRDNM1
SCHEMBL7026899 0.76 DNM1 (0.46) PPARATSHRDNM1

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
CN-106955790-A A kind of N alkyl hydroximic acid O alkyl thiourethanes collecting agent, preparation and its application 中南大学 2017-07-18 CN disclosed