Oxalic Acid

Oxalic Acid

SCHEMBL9803157

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

nearest known ligand 0.47

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
▸ SLC6A4 known ✓ P31645 1/20 0.39
▸ OPRM1 known ✓ P35372 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ KCNH2 Q12809 3/20 0.43
▸ SMPD1 P17405 1/20 0.42
▸ ABCB1 P08183 6/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ ABCC1 P33527 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ CACNA1F O60840 1/20 0.39

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
SCHEMBL9803095 0.98 KCNH2 (0.44) KDM4EALDH1A1TDP1KCNH2SMPD1
Oxalic Acid SCHEMBL9803165 0.90 KDM4E (0.49) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL9803767 0.89 NR2F2 (0.41) KDM4EALDH1A1ABCB1CYP2D6MEN1
SCHEMBL9803091 0.87 KDM4E (0.46) KDM4ETDP1LMNAMAPTSMN1; SMN2
Oxalic Acid SCHEMBL9427500 0.84 KDM4E (0.47) KDM4EALDH1A1KCNH2SMPD1CYP3A4
SCHEMBL30357949 0.83 GPBAR1 (0.42) ALDH1A1TBXA2ROPRM1MAPTHTT
SCHEMBL9803476 0.82 OPRM1 (0.44) KDM4EALDH1A1TDP1KCNH2CYP3A4
SCHEMBL7343184 0.82 KCNH2 (0.49) KDM4EALDH1A1KCNH2SMPD1ABCB1
Hydrochloric Acid SCHEMBL9803523 0.81 OPRM1 (0.43) KDM4EALDH1A1TDP1KCNH2CYP3A4
SCHEMBL9803513 0.81 MAPK14 (0.44) ALDH1A1KCNH2ABCB1CYP3A4CYP2D6

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
Send feedback