Oxalic Acid

Oxalic Acid

SCHEMBL10460487

Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.71

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 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.61
▸ MEN1 O00255 2/20 0.58
▸ PAX8 Q06710 1/20 0.57
▸ HRH3 Q9Y5N1 2/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL10460508 0.95 KCNH2 (0.64) KCNH2MEN1PAX8HRH3KMT2A
Oxalic Acid SCHEMBL10461512 0.91 KCNH2 (0.67) KCNH2MEN1PAX8HRH3KDM4E
Oxalic Acid SCHEMBL10459914 0.90 KCNH2 (0.66) KCNH2MEN1PAX8HRH3KDM4E
SCHEMBL10461861 0.89 KCNH2 (0.70) KCNH2MEN1PAX8HRH3KMT2A
Oxalic Acid SCHEMBL10461055 0.88 KCNH2 (0.59) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL10558799 0.88 KCNH2 (0.63) KCNH2MEN1PAX8
Fumaric Acid SCHEMBL10461081 0.87 KCNH2 (0.62) KCNH2MEN1PAX8KMT2A
Fumaric Acid SCHEMBL10461083 0.87 KCNH2 (0.62) KCNH2MEN1PAX8KMT2A
SCHEMBL10459137 0.87 KCNH2 (0.59) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL16307892 0.86 KCNH2 (0.80) KCNH2MEN1PAX8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 — — US disclosed
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