SCHEMBL30929360

SCHEMBL30929360

CCCCCOC(=O)/C=C/C(=O)OCC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.50
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8652517 0.90 TSHR (0.53) HCAR2LMNAPOLBMGLLALDH1A1
SCHEMBL9813767 0.88 TSHR (0.51) HCAR2LMNAPOLBMGLLALDH1A1
SCHEMBL8419580 0.85 LMNA (0.62) LMNAPOLBMGLLALDH1A1
SCHEMBL8416322 0.85 LMNA (0.62) LMNAPOLBMGLLALDH1A1
SCHEMBL8416318 0.85 LMNA (0.62) LMNAPOLBMGLLALDH1A1
SCHEMBL28337546 0.85 LMNA (0.55) LMNAPOLBALDH1A1
SCHEMBL1470112 0.83 LMNA (0.54) LMNAPOLBALDH1A1
SCHEMBL17695793 0.81 LMNA (0.54) LMNAPOLBMGLLALDH1A1
Triethylene Glycol SCHEMBL5811824 0.81 TSHR (0.43) LMNAPOLBMGLLALDH1A1
SCHEMBL1470144 0.81 LMNA (0.50) LMNAPOLBALDH1A1

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-118019982-A Diagnosis of autism spectrum disorders by multiple sets of school platforms 耶路撒冷希伯来大学伊萨姆研发有限公司 2024-05-10 CN disclosed