Oxalic Acid

Oxalic Acid

SCHEMBL28508103

CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1.CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1.O=C(O)C(=O)O

nearest known ligand 0.77

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
ESR1 P03372 5/20 0.77
TSHR P16473 4/20 0.77
LMNA P02545 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP2D6 P10635 1/20 0.77
MAPK1 P28482 1/20 0.77
NR1H2 P55055 1/20 0.77
RNASEL Q05823 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
PDE4D Q08499 1/20 0.74
HPGD P15428 1/20 0.66
RECQL P46063 1/20 0.66
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
STS P08842 7/20 0.64

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
Hydrogen Peroxide SCHEMBL28645617 0.96 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL37476 0.94 ESR1 (0.85) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL26053219 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27668052 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27667931 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647502 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647431 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647430 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27668047 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27667907 0.92 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19

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
CN-112322010-A Plastic color master batch capable of being efficiently biodegraded and preparation method thereof 深圳市正旺环保新材料有限公司 2021-02-05 CN disclosed