Oxalic Acid

Oxalic Acid

SCHEMBL7344832

CCCCCCCCCCCCC(C#N)(CCCC(CCc1cccc(OC)c1)N=NC)c1cccc(OC)c1.O=C(O)C(=O)O

nearest known ligand 0.40

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 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
EPHX2 P34913 2/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
STAT3 P40763 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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 SCHEMBL11117548 1.00 EBP (0.40) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL11123674 1.00 EBP (0.40) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL7355984 1.00 EBP (0.40) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL7356529 0.97 EBP (0.44) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL7348916 0.97 EBP (0.44) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL11122865 0.97 EBP (0.44) EBPSIGMAR1KDM4EMEN1KMT2A
Oxalic Acid SCHEMBL11120414 0.97 EBP (0.44) EBPSIGMAR1KDM4EMEN1KMT2A
SCHEMBL7349400 0.96 EBP (0.41) EBPSIGMAR1PPARAPPARGEPHX2
SCHEMBL7349405 0.96 EBP (0.41) EBPSIGMAR1PPARAPPARGEPHX2
SCHEMBL7348593 0.96 EBP (0.41) EBPSIGMAR1PPARAPPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438131-A CARDIOVASCULAR DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
EP-0064158-A1 Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1982-11-10 EP disclosed