Oxalic Acid

Oxalic Acid

SCHEMBL9749435

COc1ccc(OCCCCNCCCOc2ccc(OC)c(OC)c2)c(C2Sc3ccccc3N(C)C2=O)c1.O=C(O)C(=O)O

nearest known ligand 0.57

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 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADRB2 P07550 2/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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 SCHEMBL9748432 0.88 CYP3A4 (0.49) MEN1KMT2ACYP3A4KDM4ERAB9A
Hydrochloric Acid SCHEMBL9749792 0.86 ADRA1A (0.42) MEN1KMT2A
SCHEMBL6658857 0.83 CYP3A4 (0.53) MEN1KMT2ACYP3A4NPC1HEXA
SCHEMBL9747909 0.83 CYP3A4 (0.51) CYP3A4RAB9A
SCHEMBL9749448 0.83 RAB9A (0.39) CYP3A4LMNAALDH1A1RAB9A
Hydrochloric Acid SCHEMBL9748576 0.83 ADRA1D (0.40) KMT2AADRB2CYP3A4KDM4EALDH1A1
Oxalic Acid SCHEMBL10859438 0.82 CYP3A4 (0.37) KMT2ACYP3A4KDM4EALDH1A1RAB9A
Oxalic Acid SCHEMBL7294755 0.82 CYP3A4 (0.49) MEN1KMT2ACYP3A4KDM4ELMNA
Oxalic Acid SCHEMBL9747733 0.82 CYP3A4 (0.49) MEN1KMT2ACYP3A4KDM4EGAA
Oxalic Acid SCHEMBL9748543 0.82 CYP3A4 (0.47) MEN1KMT2ACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237573-B1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4786635-A THERAPEUTIC AGENTS FOR CIRCULATORY DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-11-22 US disclosed
EP-0237573-A1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed