Oxalic Acid

Oxalic Acid

SCHEMBL11322198

CN(C(=O)CCC(=O)c1ccc(F)cc1)C1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12.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 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.39
▸ DRD4 P21917 4/20 0.38
▸ SLC18A3 Q16572 3/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL11369641 0.86 DRD2 (0.43) DRD2DRD4SLC18A3SIGMAR1HTR1A
Bromide SCHEMBL11337378 0.85 DRD2 (0.43) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL11391165 0.83 DRD2 (0.40) DRD2DRD4SLC18A3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL11326699 0.82 DRD2 (0.39) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL11399556 0.80 DRD2 (0.44) DRD2DRD4SIGMAR1HTR1AHTR2A
Hydrochloric Acid SCHEMBL11331661 0.79 DRD2 (0.44) DRD2DRD4SIGMAR1HTR1AHTR2A
Oxalic Acid SCHEMBL11326300 0.78 AGTR2 (0.40) SIGMAR1TMEM97
SCHEMBL11424749 0.78 TMEM97 (0.37) SIGMAR1TMEM97
SCHEMBL11321439 0.77 SIGMAR1 (0.44) SIGMAR1TMEM97
SCHEMBL11377955 0.76 DRD2 (0.38) DRD2DRD4SLC18A3SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4301292-A 1-[2-(4,5-Dihydro-4,4-dialkyl-2-oxazolyl)phenyl]-4-(dialkylamino)cyclohexanol HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) 1981-11-17 — — US disclosed
US-4292243-A 3\"-Phenyldispiro[1,3-dioxolane-2,4'-cyclohexane-1',1\"-(3\"H)-isobenzofuran] HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-09-29 — — US disclosed
US-4290958-A Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]s HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-09-22 — — US disclosed
US-4288623-A 1-Aryl-4-amino-cyclohexan-1-ols HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1981-09-08 — — US disclosed
EP-0027522-A1 Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)s, processes and intermediates for their preparation and pharmaceutical compositions containing them HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1981-04-29 — — EP disclosed
US-4263317-A Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]s HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-04-21 — — US disclosed
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