SCHEMBL28520533

SCHEMBL28520533

CCCCCCCCC(O)(O)CCCCCCCCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.57
MEN1 O00255 1/20 0.57
FAAH O00519 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.52
FDPS P14324 9/20 0.48
GGPS1 O95749 5/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
SMPD1 P17405 2/20 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
SCHEMBL27939660 1.00 SOAT1 (0.57) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL13474858 0.86 SOAT1 (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL12847585 0.86 SOAT1 (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL2876770 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL8743286 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
Octadecanoic Acid Amide SCHEMBL27869 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL42192 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL22319678 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL218192 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL104521 0.84 SOAT1 (0.74) SOAT1MEN1FAAHTP53CYP1A2

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-112236507-A Selective hydration of oleic acid derivatives 帝斯曼知识产权资产管理有限公司 2021-01-15 CN disclosed