Oxalic Acid

Oxalic Acid

SCHEMBL8881624

CN1CCN(c2cc3ccccc3n(CC(=O)OCc3ccccc3)c2=O)CC1.O=C(O)C(=O)O

nearest known ligand 0.43

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
▸ SLC6A4 known ✓ P31645 1/20 0.43
▸ SIGMAR1 Q99720 9/20 0.43
▸ TMEM97 Q5BJF2 8/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.41

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 SCHEMBL8882079 0.84 CCR2 (0.49) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
Oxalic Acid SCHEMBL8880863 0.77 CNR2 (0.48) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18171802 0.74 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL1127697 0.71 PPARG (0.58) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL8694830 0.70 MEN1 (0.69) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5320439 0.68 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL5166280 0.67 TP53 (0.45) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL27757481 0.67 SRC (0.47) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL7809208 0.67 HTR1A (0.53) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL3298363 0.67 F10 (0.48) SIGMAR1TMEM97HTR1AADRA2AADRA2B

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-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 — — US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 — — EP disclosed
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