Oxalic Acid

Oxalic Acid

SCHEMBL9005348

N#Cc1cccc(N2CCC(N)C2)n1.O=C(O)C(=O)O

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
PIM1 P11309 4/20 0.49
PRKCQ Q04759 3/20 0.49
HTR3E A5X5Y0 1/20 0.44
MEN1 O00255 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR3A P46098 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LCAT P04180 1/20 0.41
PIM3 Q86V86 2/20 0.40

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
SCHEMBL7391451 0.92 CTSS (0.54) CTSSPIM1PRKCQHTR3EMEN1
Oxalic Acid SCHEMBL9005357 0.79 PRKCQ (0.48) CTSSPIM1PRKCQIRAK4LCAT
SCHEMBL9005452 0.78 PRKCQ (0.63) PIM1PRKCQHTR3EMEN1HTR3B
SCHEMBL18754556 0.75 CTSS (0.51) CTSSPIM1HTR3EMEN1HTR3B
Oxalic Acid SCHEMBL9005359 0.74 MGLL (0.43) CTSSPIM1IRAK4LCAT
SCHEMBL20140586 0.73 PARP1 (0.44) CTSSMEN1TSHRKMT2ALCAT
SCHEMBL21730336 0.73 CTSS (0.51) CTSSHTR3AHRH4HRH3
SCHEMBL29907733 0.73 CTSS (0.51) CTSSHTR3AHRH4HRH3
SCHEMBL15014503 0.73 CTSS (0.50) CTSSHTR3EMEN1HTR3BCYP1A2
SCHEMBL2952412 0.72 CTSS (0.48) CTSSPIM1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed