Oxalic Acid

Oxalic Acid

SCHEMBL9706775

CCCCCN1CCC(COc2ccc(CCc3ccc(Cl)cc3)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.55

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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 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AGER Q15109 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48

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 SCHEMBL9373478 0.95 HRH3 (0.59) HRH3MEN1KMT2ACHRNB2CHRNB4
Oxalic Acid SCHEMBL9371181 0.92 KDM4E (0.58) HRH3MEN1KMT2AKDM4ECHRNB2
Oxalic Acid SCHEMBL9531846 0.90 HRH3 (0.64) HRH3MEN1KMT2ACHRNB2CHRNB4
Oxalic Acid SCHEMBL9368583 0.89 HRH3 (0.53) HRH3MEN1KMT2ACHRNB2CHRNB4
SCHEMBL9369534 0.88 HRH3 (0.54) HRH3AGER
SCHEMBL9368505 0.86 KCNH2 (0.55) HRH3MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL9368390 0.85 KMT2A (0.56) HRH3MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL9368451 0.84 KDM4E (0.55) HRH3MEN1KMT2AKDM4E
SCHEMBL9371049 0.82 HRH3 (0.48) HRH3AGER
Oxalic Acid SCHEMBL9369473 0.82 KDM4E (0.61) HRH3MEN1KMT2AKDM4E

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
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 WO disclosed