Oxalic Acid

Oxalic Acid

SCHEMBL9829862

COc1ccc(C2(CCCN(C)C)Sc3ccccc3N(C)C2=O)cc1OC.O=C(O)C(=O)O

nearest known ligand 0.41

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 0.35
OPRM1 known ✓ P35372 1/20 0.35
TP53 P04637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SCN9A Q15858 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35

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 SCHEMBL10669220 0.88 KDM4E (0.48) TP53KDM4EMAPK1RAB9ASMPD1
Oxalic Acid SCHEMBL9831243 0.87 SMPD1 (0.47) KDM4ESMPD1CYP1A2CYP2D6ALDH1A1
Oxalic Acid SCHEMBL10672405 0.86 KDM4E (0.48) TP53KDM4EMAPK1RAB9AMEN1
Oxalic Acid SCHEMBL9831824 0.85 SMPD1 (0.46) KDM4ESMPD1ALDH1A1MAPTL3MBTL1
SCHEMBL9829535 0.84 RAB9A (0.41) TP53RAB9ASMPD1MEN1KMT2A
SCHEMBL9829359 0.83 RAB9A (0.41) TP53RAB9ASMPD1MEN1KMT2A
Oxalic Acid SCHEMBL9831357 0.82 CYP3A4 (0.47) KDM4EMAPK1RAB9AKMT2ASCN9A
Oxalic Acid SCHEMBL10674524 0.80 CYP3A4 (0.38) TP53KDM4EMAPK1SMPD1DRD2
SCHEMBL9829983 0.80 CYP1A2 (0.40) TP53KDM4EMAPK1RAB9ASMPD1
SCHEMBL9828930 0.80 RAB9A (0.41) TP53RAB9ASMPD1MEN1KMT2A

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-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed