SCHEMBL31068628

SCHEMBL31068628

CC=CC(=O)OC(C)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSK P43235 4/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL23522264 0.93 FAAH (0.51) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL27703277 0.93 FAAH (0.51) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL11407404 0.90 ATM (0.47) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL3482319 0.90 ATM (0.47) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL4583719 0.90 ATM (0.47) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL27515974 0.89 HCAR2 (0.36) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL9068912 0.89 HCAR2 (0.36) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL3517875 0.85 HCAR2 (0.52) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL9813165 0.85 FAAH (0.42) FAAHCNR1CNR2ATMALDH1A1
SCHEMBL7949523 0.85 FAAH (0.53) FAAHCNR1CNR2ATMALDH1A1

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-118258944-A GC-IMS-based barley fusarium graminearum pollution discrimination method 江苏省农垦麦芽有限公司 2024-06-28 CN disclosed