Oxalic Acid

Oxalic Acid

SCHEMBL9077392

COc1cccc(CCN2CCOCC2)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 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ CYP2D6 P10635 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ SIGMAR1 Q99720 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 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 SCHEMBL9075024 0.91 SIGMAR1 (0.66) KDM4ESIGMAR1MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL9077245 0.89 MEN1 (0.57) KDM4ESIGMAR1MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL9075949 0.83 HTR1A (0.55) KDM4EMEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL9074927 0.80 SIGMAR1 (0.82) KDM4ETDP1TSHRSIGMAR1
SCHEMBL11365868 0.78 CYP2D6 (0.64) KDM4ECYP2D6TSHRSIGMAR1
SCHEMBL9076740 0.77 HPGD (0.53) —
Oxalic Acid SCHEMBL9077129 0.76 KDM4E (0.58) KDM4EALDH1A1
SCHEMBL23926326 0.76 SIGMAR1 (0.79) CYP2D6TSHRSIGMAR1
SCHEMBL30118894 0.76 SIGMAR1 (0.79) CYP2D6TSHRSIGMAR1
SCHEMBL11372857 0.76 TSHR (0.52) KDM4ETDP1CYP2D6TSHRMEN1

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
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