Oxalic Acid

Oxalic Acid

SCHEMBL9787012

CNC(=O)OCCCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O.O=C(O)C(=O)O

nearest known ligand 0.58

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 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.48
▸ BCHE P06276 2/20 0.46
▸ CYP2J2 P51589 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PAX8 Q06710 1/20 0.45

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
SCHEMBL9786986 0.96 HRH1 (0.48) HRH1BCHECYP2J2KCNH2PAX8
SCHEMBL9786953 0.96 HRH1 (0.48) HRH1BCHECYP2J2KCNH2PAX8
SCHEMBL9787022 0.96 HRH1 (0.48) HRH1BCHECYP2J2KCNH2PAX8
SCHEMBL9786973 0.95 HRH1 (0.49) HRH1BCHECYP2J2KCNH2PAX8
SCHEMBL9786906 0.92 PAX8 (0.48) HRH1CYP2J2MEN1KCNH2PAX8
Hydrochloric Acid SCHEMBL9787237 0.88 HRH1 (0.43) HRH1CYP2J2MEN1PAX8
SCHEMBL9786980 0.88 HRH1 (0.44) HRH1CYP2J2KCNH2PAX8
Oxalic Acid SCHEMBL9786851 0.86 CYP2J2 (0.46) HRH1CYP2J2MEN1KMT2AKCNH2
SCHEMBL9786834 0.82 CYP2J2 (0.46) HRH1BCHECYP2J2KCNH2PAX8
SCHEMBL9786892 0.81 CYP2J2 (0.59) HRH1CYP2J2MEN1KCNH2PAX8

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-5063235-A 4-[(diaryl)hydromethyl]-1-piperidinealkanols and esters and carbamates thereof useful in the treatment of allergic disorders A. H. ROBINS COMPANY, INC. (US) 1991-11-05 — — US disclosed
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