Oxalic Acid

Oxalic Acid

SCHEMBL9740524

Fc1ccc(Cn2c(NC3CCN(CCCNc4nc5cnccc5[nH]4)CC3)nc3ccccc32)cc1.Fc1ccc(Cn2c(NC3CCN(CCCNc4nc5cnccc5[nH]4)CC3)nc3ccccc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.58

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
SLC6A4 known ✓ P31645 1/20 0.52
OPRM1 known ✓ P35372 1/20 0.52
SSTR5 P35346 7/20 0.58
HRH1 P35367 2/20 0.57
HRH4 Q9H3N8 2/20 0.57
KCNH2 Q12809 9/20 0.56
NR4A2 P43354 2/20 0.56
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
EED O75530 2/20 0.52
MEN1 O00255 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
HLA-A P04439 1/20 0.52
ERBB2 P04626 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52

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 SCHEMBL9740529 1.00 SSTR5 (0.58) SSTR5HRH1HRH4KCNH2NR4A2
Oxalic Acid SCHEMBL9740532 1.00 SSTR5 (0.58) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL11016191 0.96 SSTR5 (0.60) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9741018 0.94 SSTR5 (0.59) SSTR5HRH1HRH4KCNH2NR4A2
Water SCHEMBL9630432 0.87 EED (0.59) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL11478841 0.84 SSTR5 (0.68) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9564799 0.79 SSTR5 (0.45) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL1152741 0.79 SSTR5 (0.63) SSTR5HRH1HRH4KCNH2NR4A2
Oxalic Acid SCHEMBL9629377 0.79 KCNH2 (0.41) SSTR5HRH1HRH4KCNH2NR4A2
Oxalic Acid SCHEMBL9629373 0.79 KCNH2 (0.41) SSTR5HRH1HRH4KCNH2NR4A2

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
US-5126339-A Antihistamine, antiserotonine JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-30 US disclosed
US-5025014-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-18 US disclosed
US-4888426-A CHEMICAL INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1989-12-19 US disclosed
US-4695569-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1987-09-22 US disclosed