Oxalic Acid

Oxalic Acid

SCHEMBL9795121

CCN(CC)CCNC(=O)C1CCC(O)CC1.O=C(O)C(=O)O

nearest known ligand 0.53

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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 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.49
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 3/20 0.46
STAT3 P40763 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.39
NAAA Q02083 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.37

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 SCHEMBL9795105 1.00 POLB (0.53) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL9795281 0.95 TSHR (0.57) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL9795287 0.95 TSHR (0.57) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL7469332 0.81 POLB (0.66) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL9795296 0.79 HSD11B1 (0.49) POLBTSHRLMNAKMT2ATP53
SCHEMBL12820426 0.79 POLB (0.53) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL2325837 0.78 GNAI3 (0.59) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL9795115 0.78 TSHR (0.52) POLBTSHRLMNASIGMAR1KMT2A
SCHEMBL20928274 0.77 NAAA (0.51) KMT2ANAAASMN1; SMN2ALDH1A1
Cyclohexanol SCHEMBL9499228 0.75 KMT2A (0.59) POLBTSHRLMNASIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed