Oxalic Acid

Oxalic Acid

SCHEMBL9538790

Fc1ccc(Cn2c(CC3CCN(CCSc4nc5cccnc5s4)CC3)nc3ccccc32)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.45

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 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
SSTR5 P35346 2/20 0.42
HRH1 P35367 8/20 0.41
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
CYP2D6 P10635 7/20 0.41
TP53 P04637 1/20 0.41
KCNH2 Q12809 4/20 0.41
CHRM1 P11229 2/20 0.41
NR4A2 P43354 1/20 0.40

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 SCHEMBL10803978 1.00 SLC6A9 (0.45) SLC6A9SSTR5HRH1TACR2TACR1
Oxalic Acid SCHEMBL9538585 0.85 SLC6A9 (0.43) SLC6A9SSTR5HRH1TACR2TACR1
Oxalic Acid SCHEMBL9538589 0.85 SLC6A9 (0.43) SLC6A9SSTR5HRH1TACR2TACR1
SCHEMBL9535493 0.82 SSTR5 (0.42) SLC6A9SSTR5HRH1TACR2TACR1
Oxalic Acid SCHEMBL10549061 0.82 SLC6A9 (0.53) SLC6A9TP53
Oxalic Acid SCHEMBL10549054 0.82 SLC6A9 (0.53) SLC6A9TP53
SCHEMBL9800703 0.81 SSTR5 (0.63) SSTR5HRH1TACR2TACR1CYP2D6
Oxalic Acid SCHEMBL10548563 0.81 SSTR5 (0.51) SSTR5HRH1TACR2TACR1CYP2D6
Oxalic Acid SCHEMBL9536567 0.81 HRH1 (0.47) SSTR5HRH1TACR2TACR1CYP2D6
Oxalic Acid SCHEMBL9536571 0.81 HRH1 (0.47) SSTR5HRH1TACR2TACR1CYP2D6

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed