Oxalic Acid

Oxalic Acid

SCHEMBL6595339

COc1cc2c(cc1OC)CN(C(=O)C1CCCN(CCCC(=O)Nc3ccc4c(c3)OCO4)C1)CC2.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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ABCB1 P08183 2/20 0.49
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6588710 0.95 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6589376 0.95 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6591085 0.94 CYP1A2 (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL6588822 0.92 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL6588817 0.92 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Oxalic Acid SCHEMBL6589408 0.92 CYP1A2 (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Cadaverine Tartrate SCHEMBL6589585 0.92 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Cadaverine Tartrate SCHEMBL6590121 0.92 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6589249 0.84 ALDH1A1 (0.54) ABCB1KMT2AALDH1A1MEN1LMNA
SCHEMBL6587983 0.82 KDM4E (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186601-B1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-03-24 EP disclosed
US-6573279-B1 Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the ASTELLAS PHARMA INC. (JP) 2003-06-03 US disclosed
EP-1186601-A1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-03-13 EP disclosed