Oxalic Acid

Oxalic Acid

SCHEMBL6033591

NC(=O)c1n[nH]c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.58

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic 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
FLT3 P36888 2/20 0.58
CDK2 P24941 2/20 0.58
CCNA2 P20248 1/20 0.58
CCNA1 P78396 1/20 0.58
KDM4E B2RXH2 6/20 0.57
YTHDC1 Q96MU7 1/20 0.57
STAT3 P40763 1/20 0.57
HIF1A Q16665 1/20 0.57
CTNNB1 P35222 3/20 0.56
WNT3A P56704 3/20 0.56
IDO1 P14902 1/20 0.55
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
EPHB3 P54753 1/20 0.49
PDPK1 O15530 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
MAP2K4 P45985 1/20 0.47

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
SCHEMBL27750743 0.95 KDM4E (0.62) FLT3CDK2CCNA2CCNA1KDM4E
SCHEMBL82761 0.95 KDM4E (0.62) FLT3CDK2CCNA2CCNA1KDM4E
Hydrochloric Acid SCHEMBL5071439 0.93 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E
Hydrochloric Acid SCHEMBL29962256 0.93 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E
Hydrochloric Acid SCHEMBL2175299 0.93 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E
Hydrochloric Acid SCHEMBL30404733 0.93 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E
SCHEMBL28139037 0.93 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E
Trifluoroacetic Acid SCHEMBL15546473 0.89 FLT3 (0.54) FLT3CDK2CCNA2CCNA1KDM4E
Formic Acid SCHEMBL5987899 0.88 KDM4E (0.55) FLT3CDK2CCNA2CCNA1KDM4E
SCHEMBL27899707 0.85 KDM4E (0.60) FLT3CDK2CCNA2CCNA1KDM4E

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
EP-1622892-A1 INDAZOLES HAVING ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2006-02-08 EP disclosed
WO-2004101548-A1 INDAZOLE HAVING ANALGESIC ACTIVITY , AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2004-11-25 WO disclosed