Oxalic Acid

Oxalic Acid

SCHEMBL9803165

COc1ccc(CCCNCCCCN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2OCC(C)C)cc1OC.O=C(O)C(=O)O

nearest known ligand 0.49

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 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRB3 P13945 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL9803091 0.98 KDM4E (0.46) KDM4ETDP1ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL9803157 0.90 KDM4E (0.47) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL9803763 0.89 KDM4E (0.45) KDM4EADRB2MEN1KMT2AALDH1A1
SCHEMBL9803095 0.87 KCNH2 (0.44) KDM4ETDP1MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL9427521 0.83 KDM4E (0.41) KDM4EADRB2ADRB1ADRB3ATM
SCHEMBL9427352 0.81 NPC1 (0.42) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9803513 0.80 MAPK14 (0.44) ADRB1ALDH1A1MAPTMAPK14
SCHEMBL9803476 0.79 OPRM1 (0.44) KDM4ETDP1ADRB1ALDH1A1MAPK14
Hydrochloric Acid SCHEMBL9803523 0.79 OPRM1 (0.43) KDM4ETDP1ADRB1MEN1KMT2A
SCHEMBL9803767 0.78 NR2F2 (0.41) KDM4EMEN1KMT2AALDH1A1LMNA

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-5075325-A Cardiovascular disorders SYNTHELABO (FR) 1991-12-24 — — US disclosed
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 — — US disclosed
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