Aconitic Acid

Aconitic Acid

SCHEMBL6273429

CC(=CC(=O)O)C(=O)O.O=C(O)C=C(CC(=O)O)C(=O)O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
TSHR P16473 2/20 0.75
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.35
HTT P42858 3/20 0.34
CPB1 P15086 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
PKM P14618 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
Aconitic Acid SCHEMBL6273427 1.00 KDM4E (0.75) KDM4ETSHRCYP2C9RECQLHTT
Aconitic Acid SCHEMBL8650635 1.00 KDM4E (0.75) KDM4ETSHRCYP2C9RECQLHTT
Aconitic Acid SCHEMBL31252804 0.89 KDM4E (0.86) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL2022211 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL219037 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL1289876 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL22334 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL16935 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL1275978 0.87 TSHR (1.00) KDM4ETSHRRECQLCPB1ALOX15
Aconitic Acid SCHEMBL27092737 0.85 TSHR (0.78) KDM4ETSHRRECQLCPB1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123913-A2 REVERSIBLY MODIFIED THERMOSTABLE ENZYME COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME NUSTAR LABORATORY (US) 2005-12-29 WO disclosed
EP-0864639-A2 A crystalline calcium carbonate builder encapsulated with a hydrotrope for use in detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1998-09-16 EP disclosed