Oxalic Acid

Oxalic Acid

SCHEMBL9787761

CCOCCOc1ccc(CCNCC(CO)c2cccs2)cc1.O=C(O)C(=O)O

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ADRB1 P08588 3/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
ACACB O00763 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL9492908 0.95 ADRB3 (0.42) ADRB3MEN1KMT2ATDP1LMNA
Oxalic Acid SCHEMBL9787778 0.85 ADRB3 (0.55) ADRB3MEN1KMT2AKDM4ETDP1
Oxalic Acid SCHEMBL9787821 0.84 ADRB3 (0.45) ADRB3MEN1KMT2AKDM4ETDP1
Oxalic Acid SCHEMBL9787715 0.81 ADRB3 (0.49) ADRB3MEN1KMT2AKDM4ETDP1
SCHEMBL9494415 0.81 ADRB3 (0.53) ADRB3MEN1KMT2AKDM4ETDP1
SCHEMBL9494401 0.81 ADRB3 (0.53) ADRB3MEN1KMT2AKDM4ETDP1
Oxalic Acid SCHEMBL9787807 0.80 ADRB3 (0.54) ADRB3MEN1KMT2AKDM4ETDP1
Oxalic Acid SCHEMBL9787785 0.80 ADRB3 (0.47) ADRB3MEN1KMT2AKDM4ETDP1
Oxalic Acid SCHEMBL9787744 0.78 KDM4E (0.48) ADRB3MEN1KMT2AKDM4ETDP1
Alcohol SCHEMBL9787776 0.76 ADRB3 (0.51) ADRB3MEN1KMT2AKDM4ETDP1

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-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed