Sugi Predict

Sugi Predict / Compounds / Undecane

Undecane

Undecane

SCHEMBL28678689

CC(C)CCC(=O)C(=O)CCC(C)C.CCCCCCCCCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.61
▸ CES1 P23141 5/20 0.61
▸ CA1 P00915 4/20 0.52
▸ EPHX1 P07099 1/20 0.47
▸ GPR84 Q9NQS5 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA2 P00918 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
SCHEMBL104197 0.85 CES2 (0.63) CES2CES1CA1
SCHEMBL7615209 0.84 CA1 (0.68) CES2CES1CA1CA2
Heptane SCHEMBL6439021 0.84 GPR84 (0.62) GPR84MEN1KMT2A
SCHEMBL6859048 0.82 KMT2A (0.59) CES2CES1GPR84LMNAMEN1
SCHEMBL8896603 0.82 KMT2A (0.59) CES2CES1GPR84LMNAMEN1
SCHEMBL9327687 0.82 KMT2A (0.59) CES2CES1GPR84LMNAMEN1
SCHEMBL22443732 0.82 KMT2A (0.59) CES2CES1GPR84LMNAMEN1
SCHEMBL6364133 0.82 KMT2A (0.59) CES2CES1GPR84LMNAMEN1
Decanoic Acid SCHEMBL10952051 0.80 GPR84 (0.71) GPR84LMNAMEN1KMT2A
Octanoic Acid SCHEMBL10948025 0.80 GPR84 (0.71) GPR84LMNAMEN1KMT2A

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-107208120-B Rapid pretreatment 斯威特沃特能源公司 2021-11-23 — — CN disclosed