Oxalic Acid

Oxalic Acid

SCHEMBL10566281

Cc1nc(C)c(C(=O)O)c(-c2cc([N+](=O)[O-])ccc2OCCCCNCC(O)COc2ccccc2)c1C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ ADRB2 P07550 3/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38

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 SCHEMBL10566243 1.00 ATM (0.46) ATMADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10524588 0.98 ADRB2 (0.44) ATMADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10524580 0.98 ADRB2 (0.44) ATMADRB2ADRB1ADRB3ALDH1A1
Oxalic Acid SCHEMBL10564624 0.94 ATM (0.45) ATMADRB2ADRB1ADRB3ALDH1A1
Oxalic Acid SCHEMBL10564631 0.94 ATM (0.45) ATMADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10566298 0.92 ADRB2 (0.43) ATMADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10566300 0.92 ADRB2 (0.43) ATMADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10567624 0.92 ADRB2 (0.43) ATMADRB2ADRB1ADRB3ALDH1A1
Oxalic Acid SCHEMBL10566732 0.90 DRD2 (0.49) ALDH1A1MEN1KMT2AKDM4EMAPK1
Oxalic Acid SCHEMBL10566726 0.90 DRD2 (0.49) ALDH1A1MEN1KMT2AKDM4EMAPK1

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-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
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