Oxalic Acid

Oxalic Acid

SCHEMBL9729559

COc1c(C)cnc(Cn2c(SCCC(C)CCC=C(C)C)nc3ccccc32)c1C.O=C(O)C(=O)O

nearest known ligand 0.42

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
PDPK1 O15530 4/20 0.42
ATM Q13315 1/20 0.42
AR P10275 4/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PABPC1 P11940 1/20 0.39
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL9730125 0.96 PDPK1 (0.39) PDPK1ATMARKMT2AL3MBTL1
SCHEMBL9729574 0.81 PDPK1 (0.39) PDPK1ATMARKMT2AL3MBTL1
SCHEMBL10584394 0.71 SHMT2 (0.47) PDPK1ATMKMT2APTGDR2
SCHEMBL3379391 0.65 SHMT2 (0.48) PDPK1ATMKMT2AMEN1NPSR1
SCHEMBL14356330 0.64 HPGD (0.48) KMT2ATP53SMN1; SMN2PTGDR2
SCHEMBL11816804 0.64 HSD17B10 (0.52) ATMTP53SMN1; SMN2NPSR1
SCHEMBL11825241 0.63 KDM4E (0.60) KMT2AL3MBTL1MEN1TP53SMN1; SMN2
Oxalic Acid SCHEMBL9730818 0.63 MAPT (0.49) L3MBTL1SMN1; SMN2PTGDR2
SCHEMBL9709017 0.61 KMT2A (0.39) KMT2AMEN1
SCHEMBL10720384 0.61 KMT2A (0.38) KMT2AMEN1

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-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US claimed
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed