SCHEMBL28903237

SCHEMBL28903237

CCCCCCCC/C=C\CCCCCCCC(N)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.52
SOAT1 P35610 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
GMNN O75496 1/20 0.47

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
SCHEMBL9347037 0.87 FDPS (0.52)
SCHEMBL16005365 0.87 FDPS (0.52)
SCHEMBL7634807 0.87 FDPS (0.52)
SCHEMBL16005591 0.87 FDPS (0.52)
SCHEMBL1172819 0.87 FDPS (0.52)
SCHEMBL5011967 0.87 FDPS (0.52)
SCHEMBL4616058 0.86 FAAH (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL22360921 0.86 FAAH (0.50) FAAHSOAT1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4366068 0.84 FDPS (0.50)
SCHEMBL8602364 0.84

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-111909753-A Sulfonate compositions and preservative compositions comprising the same 斯凯孚公司 2020-11-10 CN disclosed