Oxalic Acid

Oxalic Acid

SCHEMBL10549366

CN(C)c1ccc(-c2cc3cccc(C(=O)OCCN4CCCCC4)c3o2)cc1.O=C(O)C(=O)O

nearest known ligand 0.52

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
▸ OPRM1 known ✓ P35372 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL10550674 0.88 KDM4E (0.60) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10547276 0.87 HRH3 (0.58) KDM4ELMNACYP1A2CHRM2CYP3A4
Hydrochloric Acid SCHEMBL10549750 0.86 KDM4E (0.57) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10548971 0.85 KDM4E (0.52) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10549825 0.83 KDM4E (0.49) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10549883 0.82 KDM4E (0.47) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10550727 0.79 ALDH1A1 (0.54) KDM4ELMNACYP1A2CHRM2CYP3A4
Oxalic Acid SCHEMBL10547421 0.77 KDM4E (0.49) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10550956 0.76 KDM4E (0.53) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL10548404 0.76 L3MBTL1 (0.49) CYP1A2CYP3A4CYP2D6SLC6A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 — — US disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 — — EP disclosed
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