Levulinic Acid

Levulinic Acid

SCHEMBL4826758

CC(=O)CCC(=O)O.O=C(O)CCC(=O)c1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.80
▸ ALDH1A1 P00352 4/20 0.71
▸ GAA P10253 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ LMNA P02545 4/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ FFAR1 O14842 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ KMT2A Q03164 3/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC10 Q969S8 1/20 0.60
▸ HDAC11 Q96DB2 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL822901 0.94 NR4A2 (0.68) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL354105 0.89 NR4A2 (1.00) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL6547078 0.87 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL6604571 0.87 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL7408024 0.87 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19LMNA
Hydrochloric Acid SCHEMBL1372562 0.87 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19LMNA
Water SCHEMBL9863145 0.87 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19LMNA
Benzoic Acid SCHEMBL1419301 0.86 LMNA (0.58) NR4A2ALDH1A1GAACYP2C19LMNA
P-Xylene SCHEMBL28175467 0.85 KMT2A (0.61) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL1829362 0.83 ALDH1A1 (1.00) NR4A2ALDH1A1GAACYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4786331-A CALCIUM POLYSTYRENE SULFONATE LION CORPORATION (JP) 1988-11-22 — — US claimed
EP-0253598-A2 Cement dispersion agent LION CORPORATION (JP) 1988-01-20 — — EP claimed
US-7462236-B2 Gluconate broth for cement and concrete admixture W. R. GRACE & CO.-CONN. (US) 2008-12-09 — — US disclosed
US-20070107638-A1 Gluconate broth for cement and concrete admixture VERIFI LLC 2007-05-17 — — US disclosed
EP-1689692-A1 GLUCONATE BROTH FOR CEMENT AND CONCRETE ADMIXTURE W.R. GRACE & CO.-CONN. (US) 2006-08-16 — — EP disclosed
WO-2005054149-A1 GLUCONATE BROTH FOR CEMENT AND CONCRETE ADMIXTURE W. R. GRACE & CO.-CONN (US) 2005-06-16 — — WO disclosed
US-4786331-A CALCIUM POLYSTYRENE SULFONATE LION CORPORATION (JP) 1988-11-22 — — US disclosed
EP-0253598-A2 Cement dispersion agent LION CORPORATION (JP) 1988-01-20 — — EP disclosed
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