SCHEMBL30361002

SCHEMBL30361002

CCCCC(N)N.O=C(O)CCCCCCCCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
ALDH1A1 P00352 3/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
FABP4 P15090 2/20 0.64
FFAR1 O14842 2/20 0.64
FFAR4 Q5NUL3 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64

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
Sebacic Acid SCHEMBL28074071 1.00 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
Azelaic Acid SCHEMBL29512226 1.00 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28362550 1.00 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28335493 1.00 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL29512132 0.98 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL27807130 0.98 AKR1B1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL28544733 0.98 AKR1B1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL31306299 0.94 FFAR4 (0.69) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31718810 0.94 FFAR4 (0.69) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL31306310 0.94 FFAR4 (0.69) GPR84PPARGPPARDPPARAHDAC11

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-115850092-B Nylon 511 salt crystal and preparation method thereof 南京工业大学 2024-04-30 CN disclosed
CN-115850092-A Nylon 511 salt crystal and preparation method thereof 南京工业大学 2023-03-28 CN disclosed