Oxalic Acid

Oxalic Acid

SCHEMBL9795272

O=C(O)C(=O)O.O=C(O)[C@H]1CC[C@@](O)(C(=O)N2CCNCC2)CC1

nearest known ligand 0.44

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
TSHR P16473 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
PMP22 Q01453 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL15076721 0.79 HSD11B1 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Bicarbonate SCHEMBL9497728 0.75 CA2 (0.47) TSHRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL1158843 0.71 HSD11B1 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL700681 0.71 CHRNB2 (0.84) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL700886 0.71 CHRNB2 (0.84) TSHRGABRPGABRDGABRA1GABRB1
Cyclopropane Carboxylic Acid SCHEMBL2952690 0.69 CHRNB2 (0.57) TSHRGABRPGABRDGABRA1GABRB1
Cyclopropane Carboxylic Acid SCHEMBL3169412 0.68 CHRNB2 (0.55) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL700682 0.67 TSHR (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL6620534 0.66 TSHR (0.60) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL2027408 0.64 TSHR (1.00) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed