Oxalic Acid

Oxalic Acid

SCHEMBL9748312

CN(CCCCOc1ccc(C2Sc3ccccc3N(C)C2=O)cc1)CCOc1ccc2c(c1)OCO2.O=C(O)C(=O)O

nearest known ligand 0.68

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
CYP3A4 P08684 2/20 0.50
RAB9A P51151 3/20 0.43
MAOB P27338 3/20 0.40
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
Oxalic Acid SCHEMBL9749896 0.98 CYP3A4 (0.52) CYP3A4RAB9AMAOBNPC1SMN1; SMN2
Oxalic Acid SCHEMBL9748375 0.97 CYP3A4 (0.49) CYP3A4RAB9AMAOBNPC1SMN1; SMN2
Oxalic Acid SCHEMBL7996063 0.88 CYP3A4 (0.64) CYP3A4RAB9AMAPK1KDM4EMEN1
Oxalic Acid SCHEMBL9747799 0.85 CYP3A4 (0.62) CYP3A4RAB9ANPC1SMN1; SMN2MAPK1
Oxalic Acid SCHEMBL9748438 0.85 CYP3A4 (0.66) CYP3A4RAB9AMAPK1KDM4EMEN1
Oxalic Acid SCHEMBL9747718 0.84 CYP3A4 (0.63) CYP3A4RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7376974 0.83 CYP3A4 (0.65) CYP3A4MAOBMAPTMAPK1MAOA
Fumaric Acid SCHEMBL9749763 0.83 CYP3A4 (0.61) CYP3A4RAB9AHTTMEN1KMT2A
Fumaric Acid SCHEMBL9749768 0.83 CYP3A4 (0.61) CYP3A4RAB9AHTTMEN1KMT2A
Fumaric Acid SCHEMBL10753465 0.82 CYP3A4 (0.50) CYP3A4RAB9ANPC1TSHRKDM4E

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-0237573-B1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4786635-A THERAPEUTIC AGENTS FOR CIRCULATORY DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-11-22 US disclosed
EP-0237573-A1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed