Oxalic Acid

Oxalic Acid

SCHEMBL9538513

Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1.Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.41

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
GRIN2B Q13224 1/20 0.41
CCR3 P51677 4/20 0.41
SLC6A9 P48067 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SSTR5 P35346 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MCHR1 Q99705 1/20 0.39
PRKAA2 P54646 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 SCHEMBL10802671 1.00 GRIN2B (0.41) GRIN2BCCR3SLC6A9OPRK1KDM4E
Oxalic Acid SCHEMBL9538518 1.00 GRIN2B (0.41) GRIN2BCCR3SLC6A9OPRK1KDM4E
SCHEMBL9537882 0.95 SLC6A9 (0.41) GRIN2BSLC6A9SSTR5
Oxalic Acid SCHEMBL9537334 0.87 ENPP2 (0.44) GRIN2BSLC6A9SMN1; SMN2KDM1AHDAC6
Oxalic Acid SCHEMBL9537337 0.87 ENPP2 (0.44) GRIN2BSLC6A9SMN1; SMN2KDM1AHDAC6
SCHEMBL9536807 0.85 SSTR5 (0.50) OPRK1SMN1; SMN2SSTR5LMNAMEN1
Oxalic Acid SCHEMBL10546958 0.83 HRH1 (0.57) OPRK1SMN1; SMN2SSTR5LMNAMEN1
SCHEMBL9537190 0.82 PRMT3 (0.44) SLC6A9SSTR5
SCHEMBL9536547 0.82 SSTR5 (0.52) CCR3SSTR5
SCHEMBL9535415 0.82 SLC6A9 (0.55) SLC6A9LMNATP53

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed