SCHEMBL28240252

SCHEMBL28240252

CCCCC(=O)CC(=O)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11685972 0.83 HAO1 (0.45) HAO1CES2CES1KMT2AMEN1
SCHEMBL106298 0.82 CES2 (0.48) CES2CES1KMT2AMEN1FAAH
SCHEMBL19973390 0.82 CES2 (0.48) CES2CES1KMT2AMEN1FAAH
SCHEMBL27634581 0.81 HAO1 (0.44) HAO1CES2CES1KMT2AMEN1
SCHEMBL16338750 0.81 CA2 (0.44) HAO1CES2CES1MAPK1ALDH1A1
SCHEMBL2340644 0.80 HSD17B10 (0.33)
SCHEMBL15658171 0.78 TDP1 (0.43) ALDH1A1
SCHEMBL16612741 0.78 HAO1 (0.46) HAO1CES2CES1KMT2AMEN1
SCHEMBL31590747 0.77 HAO1 (0.53) HAO1CES2CES1KMT2AMEN1
SCHEMBL15992208 0.77 MMP1 (0.41) KMT2AMEN1ALDH1A1

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-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed