Oxalic Acid

Oxalic Acid

SCHEMBL10798288

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

nearest known ligand 0.46

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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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SSTR5 P35346 2/20 0.44
KCNH2 Q12809 4/20 0.42
SLC6A9 P48067 1/20 0.42
NR4A2 P43354 1/20 0.42
POLB P06746 1/20 0.42
HRH1 P35367 5/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
CYP2D6 P10635 4/20 0.41
TP53 P04637 1/20 0.41
CHRM1 P11229 2/20 0.41
MCHR1 Q99705 1/20 0.41

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 SCHEMBL9540591 0.93 ALDH1A1 (0.53) ALDH1A1SSTR5POLB
Oxalic Acid SCHEMBL9540585 0.93 ALDH1A1 (0.53) ALDH1A1SSTR5POLB
Oxalic Acid SCHEMBL9537860 0.84 POLB (0.46) SSTR5KCNH2SLC6A9NR4A2POLB
Oxalic Acid SCHEMBL9537867 0.84 POLB (0.46) SSTR5KCNH2SLC6A9NR4A2POLB
Oxalic Acid SCHEMBL10552513 0.83 SSTR5 (0.51) SSTR5KCNH2NR4A2HRH1TACR2
Oxalic Acid SCHEMBL9538009 0.83 PLD2 (0.47) SSTR5KCNH2NR4A2POLBTP53
Oxalic Acid SCHEMBL9538011 0.83 PLD2 (0.47) SSTR5KCNH2NR4A2POLBTP53
SCHEMBL9536186 0.83 MAPT (0.56) SSTR5POLBTP53
SCHEMBL9536847 0.83 KCNH2 (0.49) SSTR5KCNH2NR4A2POLBHRH1
Oxalic Acid SCHEMBL9539654 0.82 SSTR5 (0.44) SSTR5KCNH2NR4A2POLBHRH1

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