Oxalic Acid

Oxalic Acid

SCHEMBL10925097

Clc1ccc(CCC(Cn2ccnc2)Oc2ccc(N3CCCC3)cc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.50

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
▸ CNR1 P21554 2/20 0.44
▸ TBXAS1 P24557 2/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL10926600 0.89 ALDH1A1 (0.47) CYP19A1ALDH1A1LMNATP53CYP1A2
SCHEMBL10925526 0.88 CYP17A1 (0.41) TBXAS1CYP19A1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL10928283 0.87 CYP17A1 (0.50) TBXAS1CYP19A1ALDH1A1LMNACYP1A2
SCHEMBL10925022 0.86 HMOX1 (0.43) TBXAS1CYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL10926324 0.86 ALDH1A1 (0.51) CYP19A1ALDH1A1LMNAMAPT
SCHEMBL10925380 0.86 L3MBTL1 (0.43) TBXAS1CYP19A1ALDH1A1LMNACYP1A2
SCHEMBL10929722 0.86 GRM5 (0.43) TBXAS1CYP19A1ALDH1A1LMNACYP1A2
SCHEMBL10928100 0.86 MAPT (0.51) CNR1TBXAS1CYP19A1LMNAKCNH2
Methylamine SCHEMBL10925751 0.86 HTR7 (0.47) TBXAS1CYP19A1ALDH1A1LMNATP53
SCHEMBL10927606 0.86 TBXAS1 (0.48) TBXAS1ALDH1A1LMNATP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 — — US disclosed
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