Oxalic Acid

Oxalic Acid

SCHEMBL8640539

COc1ccc(C(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CCNCC3)(c3ccc(Cl)c(Cl)c3)C2)cc1.O=C(O)C(=O)O

nearest known ligand 0.63

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 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.63
TACR1 P25103 12/20 0.63
TACR3 P29371 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL8350749 0.98 TACR2 (0.65) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8640105 0.98 TACR2 (0.64) TACR2TACR1TACR3HRH1
SCHEMBL8351114 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8347200 0.91 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8355521 0.91 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8353464 0.90 TACR2 (0.56) TACR2TACR1TACR3HRH1
SCHEMBL8350481 0.88 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL8636765 0.88 TACR2 (0.59) TACR2TACR1TACR3HRH1
SCHEMBL8353144 0.88 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL8347416 0.88 TACR2 (0.66) TACR2TACR1TACR3HRH1

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US claimed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed