Levulinic Acid

Levulinic Acid

SCHEMBL8061193

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nearest known ligand 0.93

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Levulinic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.93
SLC15A2 Q16348 1/20 0.93
ALDH1A1 P00352 1/20 0.67
EGLN1 Q9GZT9 6/20 0.60
ALKBH5 Q6P6C2 1/20 0.60
SUCNR1 Q9BXA5 1/20 0.60
PHF8 Q9UPP1 7/20 0.57
KDM2A Q9Y2K7 7/20 0.57
KDM5C P41229 4/20 0.57
KDM4E B2RXH2 3/20 0.57
KDM6B O15054 3/20 0.57
FFAR3 O14843 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
MAPK1 P28482 1/20 0.45
SLC13A3 Q8WWT9 1/20 0.45

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
Levulinic Acid SCHEMBL9525417 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL10401551 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL9773932 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL8063365 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL8051274 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL7695588 1.00 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL30530258 0.97
Levulinic Acid SCHEMBL113572 0.97 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL27931545 0.97 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL20868 0.97

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
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed