Oxalic Acid

Oxalic Acid

SCHEMBL9796544

COc1ccc(C(CCN2CCCCC2)NC(=O)c2ccc3ccccc3n2)cc1.O=C(O)C(=O)O

nearest known ligand 0.54

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 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 known ✓ P31645 1/20 0.52
▸ UTS2R Q9UKP6 4/20 0.54
▸ SLC6A2 P23975 1/20 0.52
▸ DRD3 P35462 3/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ CCR5 P51681 4/20 0.45
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL9796511 0.97 SLC6A2 (0.54) UTS2RSLC6A2SLC6A4DRD3DRD2
Oxalic Acid SCHEMBL10675334 0.90 UTS2R (0.56) UTS2RSLC6A2SLC6A4DRD3DRD2
Oxalic Acid SCHEMBL10672534 0.90 UTS2R (0.57) UTS2RSLC6A2SLC6A4DRD3DRD2
SCHEMBL9796588 0.89 UTS2R (0.57) UTS2RSLC6A2SLC6A4DRD3ROCK2
SCHEMBL9796574 0.89 UTS2R (0.57) UTS2RSLC6A2SLC6A4DRD3ROCK2
SCHEMBL9796534 0.88 ROCK2 (0.58) UTS2RSLC6A2SLC6A4DRD3ROCK2
SCHEMBL9796206 0.87 UTS2R (0.53) UTS2RSLC6A4DRD3ROCK2ROCK1
Oxalic Acid SCHEMBL9796554 0.87 UTS2R (0.48) UTS2RSLC6A2SLC6A4ROCK2ROCK1
Fumaric Acid SCHEMBL10679564 0.84 UTS2R (0.53) UTS2RSLC6A2SLC6A4DRD3ROCK2
Fumaric Acid SCHEMBL10679559 0.84 UTS2R (0.53) UTS2RSLC6A2SLC6A4DRD3ROCK2

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-0256181-B1 NOVEL QUINALDINAMIDE DERIVATIVES AND THEIR PREPARATIONS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-01-23 — — EP disclosed
US-4764617-A MUSCLE RELAXANTS NIPPON CHEMIPHAR CO., LTD. (JP) 1988-08-16 — — US disclosed
EP-0256181-A1 Novel quinaldinamide derivatives and their preparations NIPPON CHEMIPHAR CO., LTD. (JP) 1988-02-24 — — EP disclosed
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