Oxalic Acid

Oxalic Acid

SCHEMBL8178368

N[C@@H](Cc1ccccc1)[C@@H]1CC(Cc2ccccc2)=NO1.O=C(O)C(=O)O

nearest known ligand 0.39

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
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ SORT1 Q99523 1/20 0.38
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ SLC15A1 P46059 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ DPP4 P27487 3/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ FAP Q12884 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ LAP3 P28838 3/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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 SCHEMBL7796367 1.00 ALPI (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8178047 0.93 SORT1 (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7797908 0.93 SORT1 (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8175477 0.93 SORT1 (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7789573 0.93 SORT1 (0.39) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL8175122 0.92 SORT1 (0.38) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7796588 0.92 SORT1 (0.38) ALPIPKMPTGS1XIAPSLC7A5
Benzoic Acid SCHEMBL7789533 0.91 SLC1A3 (0.37) ALPIPKMPTGS1XIAPSLC7A5
Benzoic Acid SCHEMBL8175478 0.91 SLC1A3 (0.37) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7789574 0.89 SORT1 (0.35) ALPIPKMPTGS1XIAPSLC7A5

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-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 — — US claimed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 — — US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 — — US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 — — US disclosed
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