SCHEMBL27646113

SCHEMBL27646113

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 3/20 0.34
CTSK P43235 1/20 0.34
ALOX15 P16050 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27625706 0.84 KCNH2 (0.33) ALDH1A1CTSK
SCHEMBL2611784 0.75 ALDH1A1 (0.48) ALDH1A1LMNACTSKALOX15CES2
SCHEMBL27625814 0.73 GAA (0.38)
SCHEMBL10446 0.72 ALDH1A1 (0.55) ALDH1A1LMNACTSKCES2CES1
Benzene SCHEMBL10578594 0.71 ALDH1A1 (0.48) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL27649670 0.71 ALDH1A1 (0.43) ALDH1A1LMNACTSKALOX15CES2
Hydrochloric Acid SCHEMBL28392661 0.70 ALDH1A1 (0.52) ALDH1A1LMNACTSKCES2CES1
SCHEMBL9744519 0.70 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL28813361 0.70 ALDH1A1 (0.52) ALDH1A1LMNACTSKCES2CES1
SCHEMBL11765115 0.70 ALDH1A1 (0.52) ALDH1A1LMNACTSKCES2CES1

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-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed