Oxalic Acid

Oxalic Acid

SCHEMBL7657953

CCNC1CCc2[nH]c3ccc(NC(=O)c4ccco4)cc3c2C1.CCNC1CCc2[nH]c3ccc(NC(=O)c4ccco4)cc3c2C1.O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.62

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
OPRM1 known ✓ P35372 1/20 0.45
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALOX15 P16050 1/20 0.62
CASP1 P29466 1/20 0.62
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HTR1A P08908 2/20 0.45
HTR1B P28222 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HTR1F P30939 1/20 0.44

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
SCHEMBL7657735 0.96 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8115426 0.90 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7656407 0.84 HTR1F (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7664674 0.83 CDK2 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
Oxalic Acid SCHEMBL7653789 0.82 HTR1F (0.66) MEN1KMT2AMAPTALDH1A1HTR1A
SCHEMBL7659496 0.82 HTR1A (0.48) MEN1KMT2AHTR1AHTR1BDRD2
SCHEMBL7655526 0.80 HTR1A (0.51) MEN1KMT2AALDH1A1HTR1AHTR1B
SCHEMBL7662215 0.80 HTR1F (0.55) MEN1KMT2AALDH1A1HTR1AHTR1B
SCHEMBL7659562 0.80 HTR1F (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7657731 0.80 SMN1; SMN2 (0.68) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed