Malic Acid

Malic Acid

SCHEMBL1131217

CN(C)CCO.CN(C)CCO.O=C(O)CC(O)C(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MAPT P10636 2/20 0.48
▸ OR51E2 Q9H255 1/20 0.39
▸ TET2 Q6N021 6/20 0.38
▸ TET3 O43151 2/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMO O15229 1/20 0.32

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
Malic Acid SCHEMBL27655462 0.84 SMN1; SMN2 (0.60) SMN1; SMN2OR51E2TET2TET3TET1
Trolamine SCHEMBL5874557 0.83 SMN1; SMN2 (0.65) SMN1; SMN2MAPTOR51E2TET2TET3
Malic Acid SCHEMBL5874756 0.83 SMN1; SMN2 (0.79) SMN1; SMN2MAPTOR51E2TET2TET3
Malic Acid SCHEMBL5874761 0.83 SMN1; SMN2 (0.79) SMN1; SMN2MAPTOR51E2TET2TET3
Dimethylaminoethanol SCHEMBL13730571 0.82 MAPT (0.50) SMN1; SMN2MAPTOR51E2TET2TET3
Malic Acid SCHEMBL28317492 0.80 SMN1; SMN2 (0.83) SMN1; SMN2OR51E2TET2TET3TET1
Malic Acid SCHEMBL27748793 0.80 SMN1; SMN2 (0.83) SMN1; SMN2OR51E2TET2TET3TET1
Malic Acid SCHEMBL19878635 0.79 SMN1; SMN2 (0.54) SMN1; SMN2TET2TET3TET1KDM4A
Cadaverine Tartrate SCHEMBL989096 0.79 MAPT (0.57) MAPTOR51E2TDP1L3MBTL1
Tartaric Acid SCHEMBL30104959 0.79 MAPT (0.57) MAPTOR51E2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 — — US claimed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 — — EP claimed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 — — US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 — — US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 — — US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 — — US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 — — US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 — — EP disclosed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 — — EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 — — US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
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