Oxalic Acid

Oxalic Acid

SCHEMBL7981248

Cc1ccc(S(=O)(=O)Nc2ccc(NN)c(C3CCCC3)c2)cc1.O=C(O)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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
LMNA P02545 6/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.47
XBP1 P17861 1/20 0.47
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
PTPRC P08575 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL7401941 0.94 LMNA (0.60) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7402235 0.80 ALDH1A1 (0.62) LMNAALDH1A1MAPTSMN1; SMN2TP53
Oxalic Acid SCHEMBL7965054 0.77 ALDH1A1 (0.50) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11680486 0.77 ALDH1A1 (0.64) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL27691980 0.72 PTGDR2 (0.42) ALDH1A1KMT2AGAAPOLBKDM4E
SCHEMBL15705227 0.71 ALDH1A1 (1.00) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7402012 0.70 ALDH1A1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7400836 0.68 PTPRC (0.48) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
Bromide SCHEMBL7981260 0.67 PTPRC (0.47) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11498061 0.67 ALDH1A1 (0.68) LMNAALDH1A1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed