Oxalic Acid

Oxalic Acid

SCHEMBL7529345

CN(C)CCOCCN(C)C.O=C(O)C(=O)O

nearest known ligand 0.54

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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 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 12/20 0.51
ALDH1A1 P00352 9/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA4 P43681 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
Acetone SCHEMBL28266443 0.86 CHRM2 (0.52) RAB9AKDM4EALDH1A1CHRM2CHRM4
Methacrylic Acid SCHEMBL4069606 0.86 RAB9A (0.45) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL11287710 0.83 BLM (0.45) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL15435991 0.83 CHRM2 (0.45) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL15091 0.83 CA12 (0.52) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL4331422 0.83 CA12 (0.52) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL24784667 0.81 BLM (0.48) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL30622147 0.81 BLM (0.48) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL31524126 0.81 BLM (0.48) RAB9AKDM4EALDH1A1CHRM2CHRM4
SCHEMBL29638790 0.81 BLM (0.48) RAB9AKDM4EALDH1A1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189607-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES Washington State University Research Foundation (US) 2002-03-27 EP claimed
WO-2000059492-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-10-12 WO claimed
EP-1189607-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES Washington State University Research Foundation (US) 2002-03-27 EP disclosed
WO-2000059492-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-10-12 WO disclosed