Oxalic Acid

Oxalic Acid

SCHEMBL9536571

Fc1ccc(Cn2c(CC3CCN(CCOc4ncccn4)CC3)nc3ccccc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.48

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
HRH1 P35367 6/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SSTR5 P35346 2/20 0.47
CYP2D6 P10635 4/20 0.46
TP53 P04637 1/20 0.46
KCNH2 Q12809 4/20 0.46
CHRM1 P11229 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NR4A2 P43354 1/20 0.45

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 SCHEMBL9536567 1.00 HRH1 (0.47) HRH1TACR2TACR1KDM4EMEN1
SCHEMBL9537205 0.95 RAB9A (0.49) HRH1TACR2TACR1MEN1KMT2A
Oxalic Acid SCHEMBL10548557 0.87 SSTR5 (0.51) HRH1TACR2TACR1KDM4EMEN1
Oxalic Acid SCHEMBL10548563 0.87 SSTR5 (0.51) HRH1TACR2TACR1KDM4EMEN1
Oxalic Acid SCHEMBL10547004 0.84 TP53 (0.53) HRH1TACR2TACR1SSTR5CYP2D6
Oxalic Acid SCHEMBL9536322 0.84 TP53 (0.53) HRH1TACR2TACR1SSTR5CYP2D6
Oxalic Acid SCHEMBL10552513 0.84 SSTR5 (0.51) HRH1TACR2TACR1SSTR5CYP2D6
SCHEMBL9537554 0.82 HRH1 (0.63) HRH1TACR2TACR1KDM4EMEN1
Oxalic Acid SCHEMBL9535983 0.82 TP53 (0.49) HRH1TACR2TACR1SSTR5CYP2D6
Oxalic Acid SCHEMBL9535975 0.82 TP53 (0.49) HRH1TACR2TACR1SSTR5CYP2D6

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