Oxalic Acid

Oxalic Acid

SCHEMBL9683314

C[C@H](CCc1ccc(CN)cc1)NCC(O)COc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.76

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 1/20 0.76
ALDH1A1 P00352 1/20 0.76
KMT2A Q03164 1/20 0.76
ADRB3 P13945 8/20 0.64
ADRB2 P07550 7/20 0.64
ADRB1 P08588 7/20 0.64
CYP2D6 P10635 1/20 0.54
TDP1 Q9NUW8 3/20 0.49
PMP22 Q01453 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DPP4 P27487 1/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
CNR1 P21554 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9685457 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9683310 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9684112 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9684119 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9684240 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9683304 0.87 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB3ADRB2
Hydrochloric Acid SCHEMBL9684970 0.86 MEN1 (0.74) MEN1ALDH1A1KMT2AADRB3ADRB2
Hydrochloric Acid SCHEMBL9684962 0.86 MEN1 (0.74) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL7267140 0.83 ALDH1A1 (0.74) MEN1ALDH1A1KMT2AADRB3ADRB2
SCHEMBL9683318 0.83 ALDH1A1 (0.58) MEN1ALDH1A1KMT2AADRB3ADRB2

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-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed