Oxalic Acid

Oxalic Acid

SCHEMBL7219128

NCCc1cccc([N+](=O)[O-])c1.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
TSHR P16473 3/20 0.54
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48

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 SCHEMBL7219123 1.00 TSHR (0.54) TSHRALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6545015 0.92 TSHR (0.62) TSHRALDH1A1LMNACYP2D6CYP2C9
SCHEMBL1048614 0.92 TSHR (0.62) TSHRALDH1A1LMNACYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1169677 0.90 TSHR (0.61) TSHRALDH1A1LMNACYP2D6CYP2C9
SCHEMBL5738137 0.83 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6998770 0.82 TSHR (0.59) TSHRALDH1A1LMNACYP2D6CYP2C9
SCHEMBL81066 0.81 FFAR1 (0.66) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8871859 0.81 FFAR1 (0.66) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15921150 0.80 TSHR (0.65) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL31033035 0.79 TRPV1 (0.56) TSHRALDH1A1SMN1; SMN2LMNAMAPT

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-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed