Oxalic Acid

Oxalic Acid

SCHEMBL7864973

CCN1CC=C(c2csc3c(C#N)cccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.43

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
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1D P28221 1/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 2/20 0.36
HTR1F P30939 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HTR6 P50406 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.33

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 SCHEMBL7868023 0.84 KMT2A (0.42) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7867400 0.80 KDM4E (0.55) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7865012 0.78 SLC6A4 (0.40) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7865118 0.78 KMT2A (0.45) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7867561 0.78 HTR1D (0.40) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7870914 0.77 KMT2A (0.45) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7864882 0.76 KDM4E (0.55) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL7867926 0.74 KDM4E (0.41) KDM4ELMNAALOX15KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL7866371 0.74 DRD2 (0.43) KMT2ASMN1; SMN2DRD2DRD4ALDH1A1
Oxalic Acid SCHEMBL7866244 0.74 CCNT1 (0.43) KDM4ELMNAALOX15KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed