SCHEMBL31590747

SCHEMBL31590747

CCCCCC(=O)CC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 5/20 0.47
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL12344752 0.98 HAO1 (0.57) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL2755036 0.98 HAO1 (0.57) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL11685972 0.93 HAO1 (0.45) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL27634581 0.91 HAO1 (0.44) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL6269143 0.84 CES2 (0.39) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL2357081 0.83 HAO1 (0.55) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL7728958 0.83 KMT2A (0.59) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL8047593 0.82 KDM4E (0.42) HAO1KMT2AMEN1FAAHMAPK1
SCHEMBL1272620 0.81 CES2 (0.60) KMT2AMEN1FAAHMAPK1CES2
SCHEMBL250549 0.81 HAO1 (0.67) HAO1KMT2AMEN1MAPTCES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120041255-A Supercritical CO2Method for extracting safflower essential oil by extraction and combined molecular distillation technology and application thereof 广东工业大学 2025-05-27 CN claimed
CN-120041255-A Supercritical CO2Method for extracting safflower essential oil by extraction and combined molecular distillation technology and application thereof 广东工业大学 2025-05-27 CN disclosed