Oxalic Acid

Oxalic Acid

SCHEMBL9540591

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1cccs1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.45
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SSTR5 P35346 2/20 0.45
SLC6A2 P23975 1/20 0.45
OPRK1 P41145 1/20 0.45
CCR3 P51677 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
Oxalic Acid SCHEMBL9540585 1.00 ALDH1A1 (0.53) ALDH1A1NPC1HPGDPOLBNPSR1
Oxalic Acid SCHEMBL10798288 0.93 ALDH1A1 (0.46) ALDH1A1POLBSSTR5
Oxalic Acid SCHEMBL9537860 0.88 POLB (0.46) HPGDPOLBTSHRSSTR5SLC6A2
Oxalic Acid SCHEMBL9537867 0.88 POLB (0.46) HPGDPOLBTSHRSSTR5SLC6A2
SCHEMBL9536186 0.87 MAPT (0.56) POLBGAAHTTSSTR5SLC6A2
Oxalic Acid SCHEMBL9538009 0.87 PLD2 (0.47) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL9538011 0.87 PLD2 (0.47) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10554393 0.85 SLC6A2 (0.51) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10554399 0.85 SLC6A2 (0.51) POLBSSTR5SLC6A2SLC6A4CCR3
Oxalic Acid SCHEMBL10552513 0.85 SSTR5 (0.51) SSTR5

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