Oxalic Acid

Oxalic Acid

SCHEMBL9075949

COc1cccc(CCN2CCN(c3ccccn3)CC2)c1OCCc1ccccc1.O=C(O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
Oxalic Acid SCHEMBL9077245 0.88 MEN1 (0.57) KDM4EALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL9075024 0.85 SIGMAR1 (0.66) KDM4EALDH1A1POLBMEN1KMT2A
Oxalic Acid SCHEMBL9077392 0.83 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL9077864 0.83 SIGMAR1 (0.74) KDM4EALDH1A1
Oxalic Acid SCHEMBL9077832 0.79 — —
Oxalic Acid SCHEMBL9077746 0.74 POLB (0.58) POLB
SCHEMBL9076740 0.72 HPGD (0.53) —
SCHEMBL15961309 0.72 POLB (1.00) HTR1AADRA1DADRA1AADRA1BPOLB
SCHEMBL8733917 0.71 SCN9A (0.53) —
SCHEMBL5655625 0.71 ALDH1A1 (0.56) HTR1AADRA1DADRA1AADRA1BKDM4E

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
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 — — US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 — — EP disclosed
Send feedback