SCHEMBL29720556

SCHEMBL29720556

CCCCCCCC/C=C\CCCCCCCC(=O)OCc1ccc2c(c1)OCO2

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
MGLL Q99685 1/20 0.61
ACHE P22303 4/20 0.60
CYP3A4 P08684 1/20 0.56
ELANE P08246 1/20 0.49

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
SCHEMBL28723695 0.98 ACHE (0.61) FAAHMGLLACHECYP3A4ELANE
SCHEMBL25420045 0.93 FAAH (0.68) FAAHMGLLACHECYP3A4ELANE
SCHEMBL8754823 0.83 CYP3A4 (0.71) FAAHMGLLCYP3A4
SCHEMBL3209390 0.82 ACHE (0.52) ACHEELANE
SCHEMBL2209404 0.81 FAAH (0.64) FAAHMGLLCYP3A4
SCHEMBL2208695 0.81 FAAH (0.64) FAAHMGLLCYP3A4
SCHEMBL2206712 0.79 FAAH (0.62) FAAHMGLLCYP3A4
Oleic Acid SCHEMBL3209401 0.78 PPARG (0.55) FAAHCYP3A4
SCHEMBL5167970 0.78 CYP3A4 (0.75) FAAHMGLLCYP3A4
SCHEMBL4623962 0.77 EPHX2 (0.60) FAAHELANE

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-114636774-A Biological metabolism marker composition for predicting risk of juvenile hypertension 苏州市疾病预防控制中心 2022-06-17 CN claimed