Oxalic Acid

Oxalic Acid

SCHEMBL10798151

Cc1csc(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)n1.Cc1csc(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)n1.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 0.47

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 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MCHR1 Q99705 1/20 0.45
SSTR5 P35346 2/20 0.44
HRH1 P35367 6/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
CYP2D6 P10635 5/20 0.44
KCNH2 Q12809 4/20 0.44
CHRM1 P11229 2/20 0.44
NR4A2 P43354 1/20 0.43
RAB9A P51151 1/20 0.42

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 SCHEMBL10798146 1.00 TP53 (0.46) TP53MCHR1SSTR5HRH1TACR2
SCHEMBL10550679 0.95 RAB9A (0.46) TP53MCHR1SSTR5HRH1TACR2
Oxalic Acid SCHEMBL10551011 0.91 TP53 (0.44) TP53MCHR1SSTR5HRH1TACR2
Oxalic Acid SCHEMBL9537639 0.90 MCHR1 (0.42) TP53MCHR1SSTR5HRH1TACR2
Oxalic Acid SCHEMBL9537634 0.90 MCHR1 (0.42) TP53MCHR1SSTR5HRH1TACR2
SCHEMBL9540474 0.89 SSTR5 (0.46) TP53MCHR1SSTR5HRH1TACR2
SCHEMBL9539265 0.87 HRH1 (0.43) TP53MCHR1SSTR5HRH1TACR2
SCHEMBL10551189 0.86 SSTR5 (0.47) TP53SSTR5HRH1TACR2TACR1
Oxalic Acid SCHEMBL10552513 0.86 SSTR5 (0.51) TP53MCHR1SSTR5HRH1TACR2
Oxalic Acid SCHEMBL9538589 0.84 SLC6A9 (0.43) TP53MCHR1SSTR5HRH1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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