Levulinic Acid

Levulinic Acid

SCHEMBL6535100

CC(=O)CCC(=O)O.CCOC(C)OCC

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
SLC15A2 Q16348 1/20 0.58
ALDH1A1 P00352 3/20 0.42
EGLN1 Q9GZT9 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40

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
Adipic Acid SCHEMBL16208245 0.83 LMNA (0.55) LMNAALDH1A1AKR1B1PPARGPPARD
Butyric Acid SCHEMBL8820913 0.83 FFAR3 (0.59) LMNAALDH1A1GABRPGABRDGABRA1
SCHEMBL21768046 0.83 LMNA (0.55) LMNASLC15A2ALDH1A1FFAR3HDAC3
Acetic Acid SCHEMBL23907968 0.82 LMNA (0.67) LMNAALDH1A1GABRPGABRDGABRA1
Acetic Acid SCHEMBL222953 0.82 LMNA (0.67) LMNAALDH1A1GABRPGABRDGABRA1
Sebacic Acid SCHEMBL11757616 0.81 GPR84 (0.54) LMNAALDH1A1AKR1B1PPARGPPARD
SCHEMBL27986820 0.81 LMNA (0.52) LMNASLC15A2ALDH1A1TSHRTDP1
SCHEMBL28843407 0.81 LMNA (0.52) LMNAALDH1A1EGLN1GABRPGABRD
SCHEMBL11520475 0.80 LMNA (0.46) LMNASLC15A2ALDH1A1TSHR
SCHEMBL21436753 0.80 LMNA (0.46) LMNAALDH1A1CYP1A2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038018-A4 ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES SCRIPPS RESEARCH INST (US) 2004-10-13 EP disclosed
US-6589766-B1 Use to catalyze ketone-ketone, ketone-aldehyde, aldehyde-ketone, and aldehyde-aldehyde intermolecular aldol reactions, and in some cases to catalyze their subsequent dehydration to yield aldol condensation products THE SCRIPPS RESEARCH INSTITUTE 2003-07-08 US disclosed
US-6326176-B1 ALDOL CONDENSATIONS AND CATALYTIC ANTIBODIES THE SCRIPPS RESEARCH INSTITUTE 2001-12-04 US disclosed
EP-1038018-A1 ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES The Scripps Research Institute (US) 2000-09-27 EP disclosed
WO-1999031263-A1 ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES THE SCRIPPS RESEARCH INSTITUTE (US) 1999-06-24 WO disclosed
US-4710566-A Purification of the messenger RNA cap-binding protein YALE UNIVERSITY (US) 1987-12-01 US disclosed