Oxalic Acid

Oxalic Acid

SCHEMBL11370939

O=C(O)C(=O)O.c1ccc(Oc2ccc(CC3NCCC4=C3CCCC4)cc2)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
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SLC22A1 O15245 1/20 0.40
PRCP P42785 1/20 0.40
FFAR1 O14842 1/20 0.40
ADRB2 P07550 1/20 0.39
SRD5A2 P31213 2/20 0.39
KDM1A O60341 1/20 0.38
LTA4H P09960 4/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL11363948 0.94 SLC22A1 (0.44) MEN1MAPTKMT2AHTTSMN1; SMN2
SCHEMBL23115291 0.83 SLC22A1 (0.55) SLC22A1PRCPADRB2KDM1A
SCHEMBL23135179 0.83 SLC22A1 (0.55) SLC22A1PRCPADRB2KDM1A
SCHEMBL23115288 0.83 SLC22A1 (0.55) SLC22A1PRCPADRB2KDM1A
Acetic Acid SCHEMBL10657697 0.81 CYP2D6 (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL10657706 0.81 CYP2D6 (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL10657702 0.81 CYP2D6 (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6437154 0.78 BCHE (0.43) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL2064742 0.78 BCHE (0.43) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6436095 0.78 BCHE (0.43) MEN1MAPTKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4194044-A 1-(P-PHENOXYBENZYL)-(1,2,)3,4,5,6,7,8 -(HEXA)OCTAHYDROISOQUINOLINES HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US claimed
US-4270000-A ANALGESICS; FROM AN N-/2-/1-CYCLOHEXEN-1-YL/ ETHYL/-4-PHENOXYPHENYLACETAMIDE HOFFMANN-LA ROCHE INC. (US) 1981-05-26 US disclosed
US-4247697-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4194044-A 1-(P-PHENOXYBENZYL)-(1,2,)3,4,5,6,7,8 -(HEXA)OCTAHYDROISOQUINOLINES HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed